******************************************************************************** * GENERAL UTILITY LATTICE PROGRAM * * Julian Gale, Imperial College * ******************************************************************************** * Version = 1.4.43 * Last modified = 25th March 2003 * ******************************************************************************** * single - perform a single point run * * phonon - calculate phonons for final geometry * ******************************************************************************** * DLV generated input file for MgO * ******************************************************************************** Job Started at 15:20.16 4th February 2016 Number of CPUs = 1 Total number of configurations input = 1 ******************************************************************************** * Input for Configuration = 1 * ******************************************************************************** Formula = OMg Number of irreducible atoms/shells = 2 Total number atoms/shells = 2 Dimensionality = 3 : Bulk Cartesian lattice vectors (Angstroms) : 0.000000 2.105970 2.105970 2.105970 0.000000 2.105970 2.105970 2.105970 0.000000 Cell parameters (Angstroms/Degrees): a = 2.9783 alpha = 60.0000 b = 2.9783 beta = 60.0000 c = 2.9783 gamma = 60.0000 Initial cell volume = 18.680416 Angs**3 Shrinking factors = 16 16 16 Temperature of configuration = 0.000 K Pressure of configuration = 0.000 GPa Fractional coordinates of asymmetric unit : -------------------------------------------------------------------------------- No. Atomic x y z Charge Occupancy Label (Frac) (Frac) (Frac) (e) (Frac) -------------------------------------------------------------------------------- 1 O c 0.500000 0.500000 0.500000 -2.000000 1.000000 2 Mg c 0.000000 0.000000 0.000000 2.000000 1.000000 -------------------------------------------------------------------------------- Brillouin zone sampling points : -------------------------------------------------------------------------------- Point number x y z Weight -------------------------------------------------------------------------------- 1 0.031250 0.031250 0.031250 0.0005 2 0.031250 0.031250 0.093750 0.0005 3 0.031250 0.031250 0.156250 0.0005 4 0.031250 0.031250 0.218750 0.0005 5 0.031250 0.031250 0.281250 0.0005 6 0.031250 0.031250 0.343750 0.0005 7 0.031250 0.031250 0.406250 0.0005 8 0.031250 0.031250 0.468750 0.0005 9 0.031250 0.031250 0.531250 0.0005 10 0.031250 0.031250 0.593750 0.0005 11 0.031250 0.031250 0.656250 0.0005 12 0.031250 0.031250 0.718750 0.0005 13 0.031250 0.031250 0.781250 0.0005 14 0.031250 0.031250 0.843750 0.0005 15 0.031250 0.031250 0.906250 0.0005 16 0.031250 0.031250 0.968750 0.0005 17 0.031250 0.093750 0.031250 0.0005 18 0.031250 0.093750 0.093750 0.0005 19 0.031250 0.093750 0.156250 0.0005 20 0.031250 0.093750 0.218750 0.0005 21 0.031250 0.093750 0.281250 0.0005 22 0.031250 0.093750 0.343750 0.0005 23 0.031250 0.093750 0.406250 0.0005 24 0.031250 0.093750 0.468750 0.0005 25 0.031250 0.093750 0.531250 0.0005 26 0.031250 0.093750 0.593750 0.0005 27 0.031250 0.093750 0.656250 0.0005 28 0.031250 0.093750 0.718750 0.0005 29 0.031250 0.093750 0.781250 0.0005 30 0.031250 0.093750 0.843750 0.0005 31 0.031250 0.093750 0.906250 0.0005 32 0.031250 0.093750 0.968750 0.0005 33 0.031250 0.156250 0.031250 0.0005 34 0.031250 0.156250 0.093750 0.0005 35 0.031250 0.156250 0.156250 0.0005 36 0.031250 0.156250 0.218750 0.0005 37 0.031250 0.156250 0.281250 0.0005 38 0.031250 0.156250 0.343750 0.0005 39 0.031250 0.156250 0.406250 0.0005 40 0.031250 0.156250 0.468750 0.0005 41 0.031250 0.156250 0.531250 0.0005 42 0.031250 0.156250 0.593750 0.0005 43 0.031250 0.156250 0.656250 0.0005 44 0.031250 0.156250 0.718750 0.0005 45 0.031250 0.156250 0.781250 0.0005 46 0.031250 0.156250 0.843750 0.0005 47 0.031250 0.156250 0.906250 0.0005 48 0.031250 0.156250 0.968750 0.0005 49 0.031250 0.218750 0.031250 0.0005 50 0.031250 0.218750 0.093750 0.0005 51 0.031250 0.218750 0.156250 0.0005 52 0.031250 0.218750 0.218750 0.0005 53 0.031250 0.218750 0.281250 0.0005 54 0.031250 0.218750 0.343750 0.0005 55 0.031250 0.218750 0.406250 0.0005 56 0.031250 0.218750 0.468750 0.0005 57 0.031250 0.218750 0.531250 0.0005 58 0.031250 0.218750 0.593750 0.0005 59 0.031250 0.218750 0.656250 0.0005 60 0.031250 0.218750 0.718750 0.0005 61 0.031250 0.218750 0.781250 0.0005 62 0.031250 0.218750 0.843750 0.0005 63 0.031250 0.218750 0.906250 0.0005 64 0.031250 0.218750 0.968750 0.0005 65 0.031250 0.281250 0.031250 0.0005 66 0.031250 0.281250 0.093750 0.0005 67 0.031250 0.281250 0.156250 0.0005 68 0.031250 0.281250 0.218750 0.0005 69 0.031250 0.281250 0.281250 0.0005 70 0.031250 0.281250 0.343750 0.0005 71 0.031250 0.281250 0.406250 0.0005 72 0.031250 0.281250 0.468750 0.0005 73 0.031250 0.281250 0.531250 0.0005 74 0.031250 0.281250 0.593750 0.0005 75 0.031250 0.281250 0.656250 0.0005 76 0.031250 0.281250 0.718750 0.0005 77 0.031250 0.281250 0.781250 0.0005 78 0.031250 0.281250 0.843750 0.0005 79 0.031250 0.281250 0.906250 0.0005 80 0.031250 0.281250 0.968750 0.0005 81 0.031250 0.343750 0.031250 0.0005 82 0.031250 0.343750 0.093750 0.0005 83 0.031250 0.343750 0.156250 0.0005 84 0.031250 0.343750 0.218750 0.0005 85 0.031250 0.343750 0.281250 0.0005 86 0.031250 0.343750 0.343750 0.0005 87 0.031250 0.343750 0.406250 0.0005 88 0.031250 0.343750 0.468750 0.0005 89 0.031250 0.343750 0.531250 0.0005 90 0.031250 0.343750 0.593750 0.0005 91 0.031250 0.343750 0.656250 0.0005 92 0.031250 0.343750 0.718750 0.0005 93 0.031250 0.343750 0.781250 0.0005 94 0.031250 0.343750 0.843750 0.0005 95 0.031250 0.343750 0.906250 0.0005 96 0.031250 0.343750 0.968750 0.0005 97 0.031250 0.406250 0.031250 0.0005 98 0.031250 0.406250 0.093750 0.0005 99 0.031250 0.406250 0.156250 0.0005 100 0.031250 0.406250 0.218750 0.0005 101 0.031250 0.406250 0.281250 0.0005 102 0.031250 0.406250 0.343750 0.0005 103 0.031250 0.406250 0.406250 0.0005 104 0.031250 0.406250 0.468750 0.0005 105 0.031250 0.406250 0.531250 0.0005 106 0.031250 0.406250 0.593750 0.0005 107 0.031250 0.406250 0.656250 0.0005 108 0.031250 0.406250 0.718750 0.0005 109 0.031250 0.406250 0.781250 0.0005 110 0.031250 0.406250 0.843750 0.0005 111 0.031250 0.406250 0.906250 0.0005 112 0.031250 0.406250 0.968750 0.0005 113 0.031250 0.468750 0.031250 0.0005 114 0.031250 0.468750 0.093750 0.0005 115 0.031250 0.468750 0.156250 0.0005 116 0.031250 0.468750 0.218750 0.0005 117 0.031250 0.468750 0.281250 0.0005 118 0.031250 0.468750 0.343750 0.0005 119 0.031250 0.468750 0.406250 0.0005 120 0.031250 0.468750 0.468750 0.0005 121 0.031250 0.468750 0.531250 0.0005 122 0.031250 0.468750 0.593750 0.0005 123 0.031250 0.468750 0.656250 0.0005 124 0.031250 0.468750 0.718750 0.0005 125 0.031250 0.468750 0.781250 0.0005 126 0.031250 0.468750 0.843750 0.0005 127 0.031250 0.468750 0.906250 0.0005 128 0.031250 0.468750 0.968750 0.0005 129 0.031250 0.531250 0.031250 0.0005 130 0.031250 0.531250 0.093750 0.0005 131 0.031250 0.531250 0.156250 0.0005 132 0.031250 0.531250 0.218750 0.0005 133 0.031250 0.531250 0.281250 0.0005 134 0.031250 0.531250 0.343750 0.0005 135 0.031250 0.531250 0.406250 0.0005 136 0.031250 0.531250 0.468750 0.0005 137 0.031250 0.531250 0.531250 0.0005 138 0.031250 0.531250 0.593750 0.0005 139 0.031250 0.531250 0.656250 0.0005 140 0.031250 0.531250 0.718750 0.0005 141 0.031250 0.531250 0.781250 0.0005 142 0.031250 0.531250 0.843750 0.0005 143 0.031250 0.531250 0.906250 0.0005 144 0.031250 0.531250 0.968750 0.0005 145 0.031250 0.593750 0.031250 0.0005 146 0.031250 0.593750 0.093750 0.0005 147 0.031250 0.593750 0.156250 0.0005 148 0.031250 0.593750 0.218750 0.0005 149 0.031250 0.593750 0.281250 0.0005 150 0.031250 0.593750 0.343750 0.0005 151 0.031250 0.593750 0.406250 0.0005 152 0.031250 0.593750 0.468750 0.0005 153 0.031250 0.593750 0.531250 0.0005 154 0.031250 0.593750 0.593750 0.0005 155 0.031250 0.593750 0.656250 0.0005 156 0.031250 0.593750 0.718750 0.0005 157 0.031250 0.593750 0.781250 0.0005 158 0.031250 0.593750 0.843750 0.0005 159 0.031250 0.593750 0.906250 0.0005 160 0.031250 0.593750 0.968750 0.0005 161 0.031250 0.656250 0.031250 0.0005 162 0.031250 0.656250 0.093750 0.0005 163 0.031250 0.656250 0.156250 0.0005 164 0.031250 0.656250 0.218750 0.0005 165 0.031250 0.656250 0.281250 0.0005 166 0.031250 0.656250 0.343750 0.0005 167 0.031250 0.656250 0.406250 0.0005 168 0.031250 0.656250 0.468750 0.0005 169 0.031250 0.656250 0.531250 0.0005 170 0.031250 0.656250 0.593750 0.0005 171 0.031250 0.656250 0.656250 0.0005 172 0.031250 0.656250 0.718750 0.0005 173 0.031250 0.656250 0.781250 0.0005 174 0.031250 0.656250 0.843750 0.0005 175 0.031250 0.656250 0.906250 0.0005 176 0.031250 0.656250 0.968750 0.0005 177 0.031250 0.718750 0.031250 0.0005 178 0.031250 0.718750 0.093750 0.0005 179 0.031250 0.718750 0.156250 0.0005 180 0.031250 0.718750 0.218750 0.0005 181 0.031250 0.718750 0.281250 0.0005 182 0.031250 0.718750 0.343750 0.0005 183 0.031250 0.718750 0.406250 0.0005 184 0.031250 0.718750 0.468750 0.0005 185 0.031250 0.718750 0.531250 0.0005 186 0.031250 0.718750 0.593750 0.0005 187 0.031250 0.718750 0.656250 0.0005 188 0.031250 0.718750 0.718750 0.0005 189 0.031250 0.718750 0.781250 0.0005 190 0.031250 0.718750 0.843750 0.0005 191 0.031250 0.718750 0.906250 0.0005 192 0.031250 0.718750 0.968750 0.0005 193 0.031250 0.781250 0.031250 0.0005 194 0.031250 0.781250 0.093750 0.0005 195 0.031250 0.781250 0.156250 0.0005 196 0.031250 0.781250 0.218750 0.0005 197 0.031250 0.781250 0.281250 0.0005 198 0.031250 0.781250 0.343750 0.0005 199 0.031250 0.781250 0.406250 0.0005 200 0.031250 0.781250 0.468750 0.0005 201 0.031250 0.781250 0.531250 0.0005 202 0.031250 0.781250 0.593750 0.0005 203 0.031250 0.781250 0.656250 0.0005 204 0.031250 0.781250 0.718750 0.0005 205 0.031250 0.781250 0.781250 0.0005 206 0.031250 0.781250 0.843750 0.0005 207 0.031250 0.781250 0.906250 0.0005 208 0.031250 0.781250 0.968750 0.0005 209 0.031250 0.843750 0.031250 0.0005 210 0.031250 0.843750 0.093750 0.0005 211 0.031250 0.843750 0.156250 0.0005 212 0.031250 0.843750 0.218750 0.0005 213 0.031250 0.843750 0.281250 0.0005 214 0.031250 0.843750 0.343750 0.0005 215 0.031250 0.843750 0.406250 0.0005 216 0.031250 0.843750 0.468750 0.0005 217 0.031250 0.843750 0.531250 0.0005 218 0.031250 0.843750 0.593750 0.0005 219 0.031250 0.843750 0.656250 0.0005 220 0.031250 0.843750 0.718750 0.0005 221 0.031250 0.843750 0.781250 0.0005 222 0.031250 0.843750 0.843750 0.0005 223 0.031250 0.843750 0.906250 0.0005 224 0.031250 0.843750 0.968750 0.0005 225 0.031250 0.906250 0.031250 0.0005 226 0.031250 0.906250 0.093750 0.0005 227 0.031250 0.906250 0.156250 0.0005 228 0.031250 0.906250 0.218750 0.0005 229 0.031250 0.906250 0.281250 0.0005 230 0.031250 0.906250 0.343750 0.0005 231 0.031250 0.906250 0.406250 0.0005 232 0.031250 0.906250 0.468750 0.0005 233 0.031250 0.906250 0.531250 0.0005 234 0.031250 0.906250 0.593750 0.0005 235 0.031250 0.906250 0.656250 0.0005 236 0.031250 0.906250 0.718750 0.0005 237 0.031250 0.906250 0.781250 0.0005 238 0.031250 0.906250 0.843750 0.0005 239 0.031250 0.906250 0.906250 0.0005 240 0.031250 0.906250 0.968750 0.0005 241 0.031250 0.968750 0.031250 0.0005 242 0.031250 0.968750 0.093750 0.0005 243 0.031250 0.968750 0.156250 0.0005 244 0.031250 0.968750 0.218750 0.0005 245 0.031250 0.968750 0.281250 0.0005 246 0.031250 0.968750 0.343750 0.0005 247 0.031250 0.968750 0.406250 0.0005 248 0.031250 0.968750 0.468750 0.0005 249 0.031250 0.968750 0.531250 0.0005 250 0.031250 0.968750 0.593750 0.0005 251 0.031250 0.968750 0.656250 0.0005 252 0.031250 0.968750 0.718750 0.0005 253 0.031250 0.968750 0.781250 0.0005 254 0.031250 0.968750 0.843750 0.0005 255 0.031250 0.968750 0.906250 0.0005 256 0.031250 0.968750 0.968750 0.0005 257 0.093750 0.031250 0.031250 0.0005 258 0.093750 0.031250 0.093750 0.0005 259 0.093750 0.031250 0.156250 0.0005 260 0.093750 0.031250 0.218750 0.0005 261 0.093750 0.031250 0.281250 0.0005 262 0.093750 0.031250 0.343750 0.0005 263 0.093750 0.031250 0.406250 0.0005 264 0.093750 0.031250 0.468750 0.0005 265 0.093750 0.031250 0.531250 0.0005 266 0.093750 0.031250 0.593750 0.0005 267 0.093750 0.031250 0.656250 0.0005 268 0.093750 0.031250 0.718750 0.0005 269 0.093750 0.031250 0.781250 0.0005 270 0.093750 0.031250 0.843750 0.0005 271 0.093750 0.031250 0.906250 0.0005 272 0.093750 0.031250 0.968750 0.0005 273 0.093750 0.093750 0.031250 0.0005 274 0.093750 0.093750 0.093750 0.0005 275 0.093750 0.093750 0.156250 0.0005 276 0.093750 0.093750 0.218750 0.0005 277 0.093750 0.093750 0.281250 0.0005 278 0.093750 0.093750 0.343750 0.0005 279 0.093750 0.093750 0.406250 0.0005 280 0.093750 0.093750 0.468750 0.0005 281 0.093750 0.093750 0.531250 0.0005 282 0.093750 0.093750 0.593750 0.0005 283 0.093750 0.093750 0.656250 0.0005 284 0.093750 0.093750 0.718750 0.0005 285 0.093750 0.093750 0.781250 0.0005 286 0.093750 0.093750 0.843750 0.0005 287 0.093750 0.093750 0.906250 0.0005 288 0.093750 0.093750 0.968750 0.0005 289 0.093750 0.156250 0.031250 0.0005 290 0.093750 0.156250 0.093750 0.0005 291 0.093750 0.156250 0.156250 0.0005 292 0.093750 0.156250 0.218750 0.0005 293 0.093750 0.156250 0.281250 0.0005 294 0.093750 0.156250 0.343750 0.0005 295 0.093750 0.156250 0.406250 0.0005 296 0.093750 0.156250 0.468750 0.0005 297 0.093750 0.156250 0.531250 0.0005 298 0.093750 0.156250 0.593750 0.0005 299 0.093750 0.156250 0.656250 0.0005 300 0.093750 0.156250 0.718750 0.0005 301 0.093750 0.156250 0.781250 0.0005 302 0.093750 0.156250 0.843750 0.0005 303 0.093750 0.156250 0.906250 0.0005 304 0.093750 0.156250 0.968750 0.0005 305 0.093750 0.218750 0.031250 0.0005 306 0.093750 0.218750 0.093750 0.0005 307 0.093750 0.218750 0.156250 0.0005 308 0.093750 0.218750 0.218750 0.0005 309 0.093750 0.218750 0.281250 0.0005 310 0.093750 0.218750 0.343750 0.0005 311 0.093750 0.218750 0.406250 0.0005 312 0.093750 0.218750 0.468750 0.0005 313 0.093750 0.218750 0.531250 0.0005 314 0.093750 0.218750 0.593750 0.0005 315 0.093750 0.218750 0.656250 0.0005 316 0.093750 0.218750 0.718750 0.0005 317 0.093750 0.218750 0.781250 0.0005 318 0.093750 0.218750 0.843750 0.0005 319 0.093750 0.218750 0.906250 0.0005 320 0.093750 0.218750 0.968750 0.0005 321 0.093750 0.281250 0.031250 0.0005 322 0.093750 0.281250 0.093750 0.0005 323 0.093750 0.281250 0.156250 0.0005 324 0.093750 0.281250 0.218750 0.0005 325 0.093750 0.281250 0.281250 0.0005 326 0.093750 0.281250 0.343750 0.0005 327 0.093750 0.281250 0.406250 0.0005 328 0.093750 0.281250 0.468750 0.0005 329 0.093750 0.281250 0.531250 0.0005 330 0.093750 0.281250 0.593750 0.0005 331 0.093750 0.281250 0.656250 0.0005 332 0.093750 0.281250 0.718750 0.0005 333 0.093750 0.281250 0.781250 0.0005 334 0.093750 0.281250 0.843750 0.0005 335 0.093750 0.281250 0.906250 0.0005 336 0.093750 0.281250 0.968750 0.0005 337 0.093750 0.343750 0.031250 0.0005 338 0.093750 0.343750 0.093750 0.0005 339 0.093750 0.343750 0.156250 0.0005 340 0.093750 0.343750 0.218750 0.0005 341 0.093750 0.343750 0.281250 0.0005 342 0.093750 0.343750 0.343750 0.0005 343 0.093750 0.343750 0.406250 0.0005 344 0.093750 0.343750 0.468750 0.0005 345 0.093750 0.343750 0.531250 0.0005 346 0.093750 0.343750 0.593750 0.0005 347 0.093750 0.343750 0.656250 0.0005 348 0.093750 0.343750 0.718750 0.0005 349 0.093750 0.343750 0.781250 0.0005 350 0.093750 0.343750 0.843750 0.0005 351 0.093750 0.343750 0.906250 0.0005 352 0.093750 0.343750 0.968750 0.0005 353 0.093750 0.406250 0.031250 0.0005 354 0.093750 0.406250 0.093750 0.0005 355 0.093750 0.406250 0.156250 0.0005 356 0.093750 0.406250 0.218750 0.0005 357 0.093750 0.406250 0.281250 0.0005 358 0.093750 0.406250 0.343750 0.0005 359 0.093750 0.406250 0.406250 0.0005 360 0.093750 0.406250 0.468750 0.0005 361 0.093750 0.406250 0.531250 0.0005 362 0.093750 0.406250 0.593750 0.0005 363 0.093750 0.406250 0.656250 0.0005 364 0.093750 0.406250 0.718750 0.0005 365 0.093750 0.406250 0.781250 0.0005 366 0.093750 0.406250 0.843750 0.0005 367 0.093750 0.406250 0.906250 0.0005 368 0.093750 0.406250 0.968750 0.0005 369 0.093750 0.468750 0.031250 0.0005 370 0.093750 0.468750 0.093750 0.0005 371 0.093750 0.468750 0.156250 0.0005 372 0.093750 0.468750 0.218750 0.0005 373 0.093750 0.468750 0.281250 0.0005 374 0.093750 0.468750 0.343750 0.0005 375 0.093750 0.468750 0.406250 0.0005 376 0.093750 0.468750 0.468750 0.0005 377 0.093750 0.468750 0.531250 0.0005 378 0.093750 0.468750 0.593750 0.0005 379 0.093750 0.468750 0.656250 0.0005 380 0.093750 0.468750 0.718750 0.0005 381 0.093750 0.468750 0.781250 0.0005 382 0.093750 0.468750 0.843750 0.0005 383 0.093750 0.468750 0.906250 0.0005 384 0.093750 0.468750 0.968750 0.0005 385 0.093750 0.531250 0.031250 0.0005 386 0.093750 0.531250 0.093750 0.0005 387 0.093750 0.531250 0.156250 0.0005 388 0.093750 0.531250 0.218750 0.0005 389 0.093750 0.531250 0.281250 0.0005 390 0.093750 0.531250 0.343750 0.0005 391 0.093750 0.531250 0.406250 0.0005 392 0.093750 0.531250 0.468750 0.0005 393 0.093750 0.531250 0.531250 0.0005 394 0.093750 0.531250 0.593750 0.0005 395 0.093750 0.531250 0.656250 0.0005 396 0.093750 0.531250 0.718750 0.0005 397 0.093750 0.531250 0.781250 0.0005 398 0.093750 0.531250 0.843750 0.0005 399 0.093750 0.531250 0.906250 0.0005 400 0.093750 0.531250 0.968750 0.0005 401 0.093750 0.593750 0.031250 0.0005 402 0.093750 0.593750 0.093750 0.0005 403 0.093750 0.593750 0.156250 0.0005 404 0.093750 0.593750 0.218750 0.0005 405 0.093750 0.593750 0.281250 0.0005 406 0.093750 0.593750 0.343750 0.0005 407 0.093750 0.593750 0.406250 0.0005 408 0.093750 0.593750 0.468750 0.0005 409 0.093750 0.593750 0.531250 0.0005 410 0.093750 0.593750 0.593750 0.0005 411 0.093750 0.593750 0.656250 0.0005 412 0.093750 0.593750 0.718750 0.0005 413 0.093750 0.593750 0.781250 0.0005 414 0.093750 0.593750 0.843750 0.0005 415 0.093750 0.593750 0.906250 0.0005 416 0.093750 0.593750 0.968750 0.0005 417 0.093750 0.656250 0.031250 0.0005 418 0.093750 0.656250 0.093750 0.0005 419 0.093750 0.656250 0.156250 0.0005 420 0.093750 0.656250 0.218750 0.0005 421 0.093750 0.656250 0.281250 0.0005 422 0.093750 0.656250 0.343750 0.0005 423 0.093750 0.656250 0.406250 0.0005 424 0.093750 0.656250 0.468750 0.0005 425 0.093750 0.656250 0.531250 0.0005 426 0.093750 0.656250 0.593750 0.0005 427 0.093750 0.656250 0.656250 0.0005 428 0.093750 0.656250 0.718750 0.0005 429 0.093750 0.656250 0.781250 0.0005 430 0.093750 0.656250 0.843750 0.0005 431 0.093750 0.656250 0.906250 0.0005 432 0.093750 0.656250 0.968750 0.0005 433 0.093750 0.718750 0.031250 0.0005 434 0.093750 0.718750 0.093750 0.0005 435 0.093750 0.718750 0.156250 0.0005 436 0.093750 0.718750 0.218750 0.0005 437 0.093750 0.718750 0.281250 0.0005 438 0.093750 0.718750 0.343750 0.0005 439 0.093750 0.718750 0.406250 0.0005 440 0.093750 0.718750 0.468750 0.0005 441 0.093750 0.718750 0.531250 0.0005 442 0.093750 0.718750 0.593750 0.0005 443 0.093750 0.718750 0.656250 0.0005 444 0.093750 0.718750 0.718750 0.0005 445 0.093750 0.718750 0.781250 0.0005 446 0.093750 0.718750 0.843750 0.0005 447 0.093750 0.718750 0.906250 0.0005 448 0.093750 0.718750 0.968750 0.0005 449 0.093750 0.781250 0.031250 0.0005 450 0.093750 0.781250 0.093750 0.0005 451 0.093750 0.781250 0.156250 0.0005 452 0.093750 0.781250 0.218750 0.0005 453 0.093750 0.781250 0.281250 0.0005 454 0.093750 0.781250 0.343750 0.0005 455 0.093750 0.781250 0.406250 0.0005 456 0.093750 0.781250 0.468750 0.0005 457 0.093750 0.781250 0.531250 0.0005 458 0.093750 0.781250 0.593750 0.0005 459 0.093750 0.781250 0.656250 0.0005 460 0.093750 0.781250 0.718750 0.0005 461 0.093750 0.781250 0.781250 0.0005 462 0.093750 0.781250 0.843750 0.0005 463 0.093750 0.781250 0.906250 0.0005 464 0.093750 0.781250 0.968750 0.0005 465 0.093750 0.843750 0.031250 0.0005 466 0.093750 0.843750 0.093750 0.0005 467 0.093750 0.843750 0.156250 0.0005 468 0.093750 0.843750 0.218750 0.0005 469 0.093750 0.843750 0.281250 0.0005 470 0.093750 0.843750 0.343750 0.0005 471 0.093750 0.843750 0.406250 0.0005 472 0.093750 0.843750 0.468750 0.0005 473 0.093750 0.843750 0.531250 0.0005 474 0.093750 0.843750 0.593750 0.0005 475 0.093750 0.843750 0.656250 0.0005 476 0.093750 0.843750 0.718750 0.0005 477 0.093750 0.843750 0.781250 0.0005 478 0.093750 0.843750 0.843750 0.0005 479 0.093750 0.843750 0.906250 0.0005 480 0.093750 0.843750 0.968750 0.0005 481 0.093750 0.906250 0.031250 0.0005 482 0.093750 0.906250 0.093750 0.0005 483 0.093750 0.906250 0.156250 0.0005 484 0.093750 0.906250 0.218750 0.0005 485 0.093750 0.906250 0.281250 0.0005 486 0.093750 0.906250 0.343750 0.0005 487 0.093750 0.906250 0.406250 0.0005 488 0.093750 0.906250 0.468750 0.0005 489 0.093750 0.906250 0.531250 0.0005 490 0.093750 0.906250 0.593750 0.0005 491 0.093750 0.906250 0.656250 0.0005 492 0.093750 0.906250 0.718750 0.0005 493 0.093750 0.906250 0.781250 0.0005 494 0.093750 0.906250 0.843750 0.0005 495 0.093750 0.906250 0.906250 0.0005 496 0.093750 0.906250 0.968750 0.0005 497 0.093750 0.968750 0.031250 0.0005 498 0.093750 0.968750 0.093750 0.0005 499 0.093750 0.968750 0.156250 0.0005 500 0.093750 0.968750 0.218750 0.0005 501 0.093750 0.968750 0.281250 0.0005 502 0.093750 0.968750 0.343750 0.0005 503 0.093750 0.968750 0.406250 0.0005 504 0.093750 0.968750 0.468750 0.0005 505 0.093750 0.968750 0.531250 0.0005 506 0.093750 0.968750 0.593750 0.0005 507 0.093750 0.968750 0.656250 0.0005 508 0.093750 0.968750 0.718750 0.0005 509 0.093750 0.968750 0.781250 0.0005 510 0.093750 0.968750 0.843750 0.0005 511 0.093750 0.968750 0.906250 0.0005 512 0.093750 0.968750 0.968750 0.0005 513 0.156250 0.031250 0.031250 0.0005 514 0.156250 0.031250 0.093750 0.0005 515 0.156250 0.031250 0.156250 0.0005 516 0.156250 0.031250 0.218750 0.0005 517 0.156250 0.031250 0.281250 0.0005 518 0.156250 0.031250 0.343750 0.0005 519 0.156250 0.031250 0.406250 0.0005 520 0.156250 0.031250 0.468750 0.0005 521 0.156250 0.031250 0.531250 0.0005 522 0.156250 0.031250 0.593750 0.0005 523 0.156250 0.031250 0.656250 0.0005 524 0.156250 0.031250 0.718750 0.0005 525 0.156250 0.031250 0.781250 0.0005 526 0.156250 0.031250 0.843750 0.0005 527 0.156250 0.031250 0.906250 0.0005 528 0.156250 0.031250 0.968750 0.0005 529 0.156250 0.093750 0.031250 0.0005 530 0.156250 0.093750 0.093750 0.0005 531 0.156250 0.093750 0.156250 0.0005 532 0.156250 0.093750 0.218750 0.0005 533 0.156250 0.093750 0.281250 0.0005 534 0.156250 0.093750 0.343750 0.0005 535 0.156250 0.093750 0.406250 0.0005 536 0.156250 0.093750 0.468750 0.0005 537 0.156250 0.093750 0.531250 0.0005 538 0.156250 0.093750 0.593750 0.0005 539 0.156250 0.093750 0.656250 0.0005 540 0.156250 0.093750 0.718750 0.0005 541 0.156250 0.093750 0.781250 0.0005 542 0.156250 0.093750 0.843750 0.0005 543 0.156250 0.093750 0.906250 0.0005 544 0.156250 0.093750 0.968750 0.0005 545 0.156250 0.156250 0.031250 0.0005 546 0.156250 0.156250 0.093750 0.0005 547 0.156250 0.156250 0.156250 0.0005 548 0.156250 0.156250 0.218750 0.0005 549 0.156250 0.156250 0.281250 0.0005 550 0.156250 0.156250 0.343750 0.0005 551 0.156250 0.156250 0.406250 0.0005 552 0.156250 0.156250 0.468750 0.0005 553 0.156250 0.156250 0.531250 0.0005 554 0.156250 0.156250 0.593750 0.0005 555 0.156250 0.156250 0.656250 0.0005 556 0.156250 0.156250 0.718750 0.0005 557 0.156250 0.156250 0.781250 0.0005 558 0.156250 0.156250 0.843750 0.0005 559 0.156250 0.156250 0.906250 0.0005 560 0.156250 0.156250 0.968750 0.0005 561 0.156250 0.218750 0.031250 0.0005 562 0.156250 0.218750 0.093750 0.0005 563 0.156250 0.218750 0.156250 0.0005 564 0.156250 0.218750 0.218750 0.0005 565 0.156250 0.218750 0.281250 0.0005 566 0.156250 0.218750 0.343750 0.0005 567 0.156250 0.218750 0.406250 0.0005 568 0.156250 0.218750 0.468750 0.0005 569 0.156250 0.218750 0.531250 0.0005 570 0.156250 0.218750 0.593750 0.0005 571 0.156250 0.218750 0.656250 0.0005 572 0.156250 0.218750 0.718750 0.0005 573 0.156250 0.218750 0.781250 0.0005 574 0.156250 0.218750 0.843750 0.0005 575 0.156250 0.218750 0.906250 0.0005 576 0.156250 0.218750 0.968750 0.0005 577 0.156250 0.281250 0.031250 0.0005 578 0.156250 0.281250 0.093750 0.0005 579 0.156250 0.281250 0.156250 0.0005 580 0.156250 0.281250 0.218750 0.0005 581 0.156250 0.281250 0.281250 0.0005 582 0.156250 0.281250 0.343750 0.0005 583 0.156250 0.281250 0.406250 0.0005 584 0.156250 0.281250 0.468750 0.0005 585 0.156250 0.281250 0.531250 0.0005 586 0.156250 0.281250 0.593750 0.0005 587 0.156250 0.281250 0.656250 0.0005 588 0.156250 0.281250 0.718750 0.0005 589 0.156250 0.281250 0.781250 0.0005 590 0.156250 0.281250 0.843750 0.0005 591 0.156250 0.281250 0.906250 0.0005 592 0.156250 0.281250 0.968750 0.0005 593 0.156250 0.343750 0.031250 0.0005 594 0.156250 0.343750 0.093750 0.0005 595 0.156250 0.343750 0.156250 0.0005 596 0.156250 0.343750 0.218750 0.0005 597 0.156250 0.343750 0.281250 0.0005 598 0.156250 0.343750 0.343750 0.0005 599 0.156250 0.343750 0.406250 0.0005 600 0.156250 0.343750 0.468750 0.0005 601 0.156250 0.343750 0.531250 0.0005 602 0.156250 0.343750 0.593750 0.0005 603 0.156250 0.343750 0.656250 0.0005 604 0.156250 0.343750 0.718750 0.0005 605 0.156250 0.343750 0.781250 0.0005 606 0.156250 0.343750 0.843750 0.0005 607 0.156250 0.343750 0.906250 0.0005 608 0.156250 0.343750 0.968750 0.0005 609 0.156250 0.406250 0.031250 0.0005 610 0.156250 0.406250 0.093750 0.0005 611 0.156250 0.406250 0.156250 0.0005 612 0.156250 0.406250 0.218750 0.0005 613 0.156250 0.406250 0.281250 0.0005 614 0.156250 0.406250 0.343750 0.0005 615 0.156250 0.406250 0.406250 0.0005 616 0.156250 0.406250 0.468750 0.0005 617 0.156250 0.406250 0.531250 0.0005 618 0.156250 0.406250 0.593750 0.0005 619 0.156250 0.406250 0.656250 0.0005 620 0.156250 0.406250 0.718750 0.0005 621 0.156250 0.406250 0.781250 0.0005 622 0.156250 0.406250 0.843750 0.0005 623 0.156250 0.406250 0.906250 0.0005 624 0.156250 0.406250 0.968750 0.0005 625 0.156250 0.468750 0.031250 0.0005 626 0.156250 0.468750 0.093750 0.0005 627 0.156250 0.468750 0.156250 0.0005 628 0.156250 0.468750 0.218750 0.0005 629 0.156250 0.468750 0.281250 0.0005 630 0.156250 0.468750 0.343750 0.0005 631 0.156250 0.468750 0.406250 0.0005 632 0.156250 0.468750 0.468750 0.0005 633 0.156250 0.468750 0.531250 0.0005 634 0.156250 0.468750 0.593750 0.0005 635 0.156250 0.468750 0.656250 0.0005 636 0.156250 0.468750 0.718750 0.0005 637 0.156250 0.468750 0.781250 0.0005 638 0.156250 0.468750 0.843750 0.0005 639 0.156250 0.468750 0.906250 0.0005 640 0.156250 0.468750 0.968750 0.0005 641 0.156250 0.531250 0.031250 0.0005 642 0.156250 0.531250 0.093750 0.0005 643 0.156250 0.531250 0.156250 0.0005 644 0.156250 0.531250 0.218750 0.0005 645 0.156250 0.531250 0.281250 0.0005 646 0.156250 0.531250 0.343750 0.0005 647 0.156250 0.531250 0.406250 0.0005 648 0.156250 0.531250 0.468750 0.0005 649 0.156250 0.531250 0.531250 0.0005 650 0.156250 0.531250 0.593750 0.0005 651 0.156250 0.531250 0.656250 0.0005 652 0.156250 0.531250 0.718750 0.0005 653 0.156250 0.531250 0.781250 0.0005 654 0.156250 0.531250 0.843750 0.0005 655 0.156250 0.531250 0.906250 0.0005 656 0.156250 0.531250 0.968750 0.0005 657 0.156250 0.593750 0.031250 0.0005 658 0.156250 0.593750 0.093750 0.0005 659 0.156250 0.593750 0.156250 0.0005 660 0.156250 0.593750 0.218750 0.0005 661 0.156250 0.593750 0.281250 0.0005 662 0.156250 0.593750 0.343750 0.0005 663 0.156250 0.593750 0.406250 0.0005 664 0.156250 0.593750 0.468750 0.0005 665 0.156250 0.593750 0.531250 0.0005 666 0.156250 0.593750 0.593750 0.0005 667 0.156250 0.593750 0.656250 0.0005 668 0.156250 0.593750 0.718750 0.0005 669 0.156250 0.593750 0.781250 0.0005 670 0.156250 0.593750 0.843750 0.0005 671 0.156250 0.593750 0.906250 0.0005 672 0.156250 0.593750 0.968750 0.0005 673 0.156250 0.656250 0.031250 0.0005 674 0.156250 0.656250 0.093750 0.0005 675 0.156250 0.656250 0.156250 0.0005 676 0.156250 0.656250 0.218750 0.0005 677 0.156250 0.656250 0.281250 0.0005 678 0.156250 0.656250 0.343750 0.0005 679 0.156250 0.656250 0.406250 0.0005 680 0.156250 0.656250 0.468750 0.0005 681 0.156250 0.656250 0.531250 0.0005 682 0.156250 0.656250 0.593750 0.0005 683 0.156250 0.656250 0.656250 0.0005 684 0.156250 0.656250 0.718750 0.0005 685 0.156250 0.656250 0.781250 0.0005 686 0.156250 0.656250 0.843750 0.0005 687 0.156250 0.656250 0.906250 0.0005 688 0.156250 0.656250 0.968750 0.0005 689 0.156250 0.718750 0.031250 0.0005 690 0.156250 0.718750 0.093750 0.0005 691 0.156250 0.718750 0.156250 0.0005 692 0.156250 0.718750 0.218750 0.0005 693 0.156250 0.718750 0.281250 0.0005 694 0.156250 0.718750 0.343750 0.0005 695 0.156250 0.718750 0.406250 0.0005 696 0.156250 0.718750 0.468750 0.0005 697 0.156250 0.718750 0.531250 0.0005 698 0.156250 0.718750 0.593750 0.0005 699 0.156250 0.718750 0.656250 0.0005 700 0.156250 0.718750 0.718750 0.0005 701 0.156250 0.718750 0.781250 0.0005 702 0.156250 0.718750 0.843750 0.0005 703 0.156250 0.718750 0.906250 0.0005 704 0.156250 0.718750 0.968750 0.0005 705 0.156250 0.781250 0.031250 0.0005 706 0.156250 0.781250 0.093750 0.0005 707 0.156250 0.781250 0.156250 0.0005 708 0.156250 0.781250 0.218750 0.0005 709 0.156250 0.781250 0.281250 0.0005 710 0.156250 0.781250 0.343750 0.0005 711 0.156250 0.781250 0.406250 0.0005 712 0.156250 0.781250 0.468750 0.0005 713 0.156250 0.781250 0.531250 0.0005 714 0.156250 0.781250 0.593750 0.0005 715 0.156250 0.781250 0.656250 0.0005 716 0.156250 0.781250 0.718750 0.0005 717 0.156250 0.781250 0.781250 0.0005 718 0.156250 0.781250 0.843750 0.0005 719 0.156250 0.781250 0.906250 0.0005 720 0.156250 0.781250 0.968750 0.0005 721 0.156250 0.843750 0.031250 0.0005 722 0.156250 0.843750 0.093750 0.0005 723 0.156250 0.843750 0.156250 0.0005 724 0.156250 0.843750 0.218750 0.0005 725 0.156250 0.843750 0.281250 0.0005 726 0.156250 0.843750 0.343750 0.0005 727 0.156250 0.843750 0.406250 0.0005 728 0.156250 0.843750 0.468750 0.0005 729 0.156250 0.843750 0.531250 0.0005 730 0.156250 0.843750 0.593750 0.0005 731 0.156250 0.843750 0.656250 0.0005 732 0.156250 0.843750 0.718750 0.0005 733 0.156250 0.843750 0.781250 0.0005 734 0.156250 0.843750 0.843750 0.0005 735 0.156250 0.843750 0.906250 0.0005 736 0.156250 0.843750 0.968750 0.0005 737 0.156250 0.906250 0.031250 0.0005 738 0.156250 0.906250 0.093750 0.0005 739 0.156250 0.906250 0.156250 0.0005 740 0.156250 0.906250 0.218750 0.0005 741 0.156250 0.906250 0.281250 0.0005 742 0.156250 0.906250 0.343750 0.0005 743 0.156250 0.906250 0.406250 0.0005 744 0.156250 0.906250 0.468750 0.0005 745 0.156250 0.906250 0.531250 0.0005 746 0.156250 0.906250 0.593750 0.0005 747 0.156250 0.906250 0.656250 0.0005 748 0.156250 0.906250 0.718750 0.0005 749 0.156250 0.906250 0.781250 0.0005 750 0.156250 0.906250 0.843750 0.0005 751 0.156250 0.906250 0.906250 0.0005 752 0.156250 0.906250 0.968750 0.0005 753 0.156250 0.968750 0.031250 0.0005 754 0.156250 0.968750 0.093750 0.0005 755 0.156250 0.968750 0.156250 0.0005 756 0.156250 0.968750 0.218750 0.0005 757 0.156250 0.968750 0.281250 0.0005 758 0.156250 0.968750 0.343750 0.0005 759 0.156250 0.968750 0.406250 0.0005 760 0.156250 0.968750 0.468750 0.0005 761 0.156250 0.968750 0.531250 0.0005 762 0.156250 0.968750 0.593750 0.0005 763 0.156250 0.968750 0.656250 0.0005 764 0.156250 0.968750 0.718750 0.0005 765 0.156250 0.968750 0.781250 0.0005 766 0.156250 0.968750 0.843750 0.0005 767 0.156250 0.968750 0.906250 0.0005 768 0.156250 0.968750 0.968750 0.0005 769 0.218750 0.031250 0.031250 0.0005 770 0.218750 0.031250 0.093750 0.0005 771 0.218750 0.031250 0.156250 0.0005 772 0.218750 0.031250 0.218750 0.0005 773 0.218750 0.031250 0.281250 0.0005 774 0.218750 0.031250 0.343750 0.0005 775 0.218750 0.031250 0.406250 0.0005 776 0.218750 0.031250 0.468750 0.0005 777 0.218750 0.031250 0.531250 0.0005 778 0.218750 0.031250 0.593750 0.0005 779 0.218750 0.031250 0.656250 0.0005 780 0.218750 0.031250 0.718750 0.0005 781 0.218750 0.031250 0.781250 0.0005 782 0.218750 0.031250 0.843750 0.0005 783 0.218750 0.031250 0.906250 0.0005 784 0.218750 0.031250 0.968750 0.0005 785 0.218750 0.093750 0.031250 0.0005 786 0.218750 0.093750 0.093750 0.0005 787 0.218750 0.093750 0.156250 0.0005 788 0.218750 0.093750 0.218750 0.0005 789 0.218750 0.093750 0.281250 0.0005 790 0.218750 0.093750 0.343750 0.0005 791 0.218750 0.093750 0.406250 0.0005 792 0.218750 0.093750 0.468750 0.0005 793 0.218750 0.093750 0.531250 0.0005 794 0.218750 0.093750 0.593750 0.0005 795 0.218750 0.093750 0.656250 0.0005 796 0.218750 0.093750 0.718750 0.0005 797 0.218750 0.093750 0.781250 0.0005 798 0.218750 0.093750 0.843750 0.0005 799 0.218750 0.093750 0.906250 0.0005 800 0.218750 0.093750 0.968750 0.0005 801 0.218750 0.156250 0.031250 0.0005 802 0.218750 0.156250 0.093750 0.0005 803 0.218750 0.156250 0.156250 0.0005 804 0.218750 0.156250 0.218750 0.0005 805 0.218750 0.156250 0.281250 0.0005 806 0.218750 0.156250 0.343750 0.0005 807 0.218750 0.156250 0.406250 0.0005 808 0.218750 0.156250 0.468750 0.0005 809 0.218750 0.156250 0.531250 0.0005 810 0.218750 0.156250 0.593750 0.0005 811 0.218750 0.156250 0.656250 0.0005 812 0.218750 0.156250 0.718750 0.0005 813 0.218750 0.156250 0.781250 0.0005 814 0.218750 0.156250 0.843750 0.0005 815 0.218750 0.156250 0.906250 0.0005 816 0.218750 0.156250 0.968750 0.0005 817 0.218750 0.218750 0.031250 0.0005 818 0.218750 0.218750 0.093750 0.0005 819 0.218750 0.218750 0.156250 0.0005 820 0.218750 0.218750 0.218750 0.0005 821 0.218750 0.218750 0.281250 0.0005 822 0.218750 0.218750 0.343750 0.0005 823 0.218750 0.218750 0.406250 0.0005 824 0.218750 0.218750 0.468750 0.0005 825 0.218750 0.218750 0.531250 0.0005 826 0.218750 0.218750 0.593750 0.0005 827 0.218750 0.218750 0.656250 0.0005 828 0.218750 0.218750 0.718750 0.0005 829 0.218750 0.218750 0.781250 0.0005 830 0.218750 0.218750 0.843750 0.0005 831 0.218750 0.218750 0.906250 0.0005 832 0.218750 0.218750 0.968750 0.0005 833 0.218750 0.281250 0.031250 0.0005 834 0.218750 0.281250 0.093750 0.0005 835 0.218750 0.281250 0.156250 0.0005 836 0.218750 0.281250 0.218750 0.0005 837 0.218750 0.281250 0.281250 0.0005 838 0.218750 0.281250 0.343750 0.0005 839 0.218750 0.281250 0.406250 0.0005 840 0.218750 0.281250 0.468750 0.0005 841 0.218750 0.281250 0.531250 0.0005 842 0.218750 0.281250 0.593750 0.0005 843 0.218750 0.281250 0.656250 0.0005 844 0.218750 0.281250 0.718750 0.0005 845 0.218750 0.281250 0.781250 0.0005 846 0.218750 0.281250 0.843750 0.0005 847 0.218750 0.281250 0.906250 0.0005 848 0.218750 0.281250 0.968750 0.0005 849 0.218750 0.343750 0.031250 0.0005 850 0.218750 0.343750 0.093750 0.0005 851 0.218750 0.343750 0.156250 0.0005 852 0.218750 0.343750 0.218750 0.0005 853 0.218750 0.343750 0.281250 0.0005 854 0.218750 0.343750 0.343750 0.0005 855 0.218750 0.343750 0.406250 0.0005 856 0.218750 0.343750 0.468750 0.0005 857 0.218750 0.343750 0.531250 0.0005 858 0.218750 0.343750 0.593750 0.0005 859 0.218750 0.343750 0.656250 0.0005 860 0.218750 0.343750 0.718750 0.0005 861 0.218750 0.343750 0.781250 0.0005 862 0.218750 0.343750 0.843750 0.0005 863 0.218750 0.343750 0.906250 0.0005 864 0.218750 0.343750 0.968750 0.0005 865 0.218750 0.406250 0.031250 0.0005 866 0.218750 0.406250 0.093750 0.0005 867 0.218750 0.406250 0.156250 0.0005 868 0.218750 0.406250 0.218750 0.0005 869 0.218750 0.406250 0.281250 0.0005 870 0.218750 0.406250 0.343750 0.0005 871 0.218750 0.406250 0.406250 0.0005 872 0.218750 0.406250 0.468750 0.0005 873 0.218750 0.406250 0.531250 0.0005 874 0.218750 0.406250 0.593750 0.0005 875 0.218750 0.406250 0.656250 0.0005 876 0.218750 0.406250 0.718750 0.0005 877 0.218750 0.406250 0.781250 0.0005 878 0.218750 0.406250 0.843750 0.0005 879 0.218750 0.406250 0.906250 0.0005 880 0.218750 0.406250 0.968750 0.0005 881 0.218750 0.468750 0.031250 0.0005 882 0.218750 0.468750 0.093750 0.0005 883 0.218750 0.468750 0.156250 0.0005 884 0.218750 0.468750 0.218750 0.0005 885 0.218750 0.468750 0.281250 0.0005 886 0.218750 0.468750 0.343750 0.0005 887 0.218750 0.468750 0.406250 0.0005 888 0.218750 0.468750 0.468750 0.0005 889 0.218750 0.468750 0.531250 0.0005 890 0.218750 0.468750 0.593750 0.0005 891 0.218750 0.468750 0.656250 0.0005 892 0.218750 0.468750 0.718750 0.0005 893 0.218750 0.468750 0.781250 0.0005 894 0.218750 0.468750 0.843750 0.0005 895 0.218750 0.468750 0.906250 0.0005 896 0.218750 0.468750 0.968750 0.0005 897 0.218750 0.531250 0.031250 0.0005 898 0.218750 0.531250 0.093750 0.0005 899 0.218750 0.531250 0.156250 0.0005 900 0.218750 0.531250 0.218750 0.0005 901 0.218750 0.531250 0.281250 0.0005 902 0.218750 0.531250 0.343750 0.0005 903 0.218750 0.531250 0.406250 0.0005 904 0.218750 0.531250 0.468750 0.0005 905 0.218750 0.531250 0.531250 0.0005 906 0.218750 0.531250 0.593750 0.0005 907 0.218750 0.531250 0.656250 0.0005 908 0.218750 0.531250 0.718750 0.0005 909 0.218750 0.531250 0.781250 0.0005 910 0.218750 0.531250 0.843750 0.0005 911 0.218750 0.531250 0.906250 0.0005 912 0.218750 0.531250 0.968750 0.0005 913 0.218750 0.593750 0.031250 0.0005 914 0.218750 0.593750 0.093750 0.0005 915 0.218750 0.593750 0.156250 0.0005 916 0.218750 0.593750 0.218750 0.0005 917 0.218750 0.593750 0.281250 0.0005 918 0.218750 0.593750 0.343750 0.0005 919 0.218750 0.593750 0.406250 0.0005 920 0.218750 0.593750 0.468750 0.0005 921 0.218750 0.593750 0.531250 0.0005 922 0.218750 0.593750 0.593750 0.0005 923 0.218750 0.593750 0.656250 0.0005 924 0.218750 0.593750 0.718750 0.0005 925 0.218750 0.593750 0.781250 0.0005 926 0.218750 0.593750 0.843750 0.0005 927 0.218750 0.593750 0.906250 0.0005 928 0.218750 0.593750 0.968750 0.0005 929 0.218750 0.656250 0.031250 0.0005 930 0.218750 0.656250 0.093750 0.0005 931 0.218750 0.656250 0.156250 0.0005 932 0.218750 0.656250 0.218750 0.0005 933 0.218750 0.656250 0.281250 0.0005 934 0.218750 0.656250 0.343750 0.0005 935 0.218750 0.656250 0.406250 0.0005 936 0.218750 0.656250 0.468750 0.0005 937 0.218750 0.656250 0.531250 0.0005 938 0.218750 0.656250 0.593750 0.0005 939 0.218750 0.656250 0.656250 0.0005 940 0.218750 0.656250 0.718750 0.0005 941 0.218750 0.656250 0.781250 0.0005 942 0.218750 0.656250 0.843750 0.0005 943 0.218750 0.656250 0.906250 0.0005 944 0.218750 0.656250 0.968750 0.0005 945 0.218750 0.718750 0.031250 0.0005 946 0.218750 0.718750 0.093750 0.0005 947 0.218750 0.718750 0.156250 0.0005 948 0.218750 0.718750 0.218750 0.0005 949 0.218750 0.718750 0.281250 0.0005 950 0.218750 0.718750 0.343750 0.0005 951 0.218750 0.718750 0.406250 0.0005 952 0.218750 0.718750 0.468750 0.0005 953 0.218750 0.718750 0.531250 0.0005 954 0.218750 0.718750 0.593750 0.0005 955 0.218750 0.718750 0.656250 0.0005 956 0.218750 0.718750 0.718750 0.0005 957 0.218750 0.718750 0.781250 0.0005 958 0.218750 0.718750 0.843750 0.0005 959 0.218750 0.718750 0.906250 0.0005 960 0.218750 0.718750 0.968750 0.0005 961 0.218750 0.781250 0.031250 0.0005 962 0.218750 0.781250 0.093750 0.0005 963 0.218750 0.781250 0.156250 0.0005 964 0.218750 0.781250 0.218750 0.0005 965 0.218750 0.781250 0.281250 0.0005 966 0.218750 0.781250 0.343750 0.0005 967 0.218750 0.781250 0.406250 0.0005 968 0.218750 0.781250 0.468750 0.0005 969 0.218750 0.781250 0.531250 0.0005 970 0.218750 0.781250 0.593750 0.0005 971 0.218750 0.781250 0.656250 0.0005 972 0.218750 0.781250 0.718750 0.0005 973 0.218750 0.781250 0.781250 0.0005 974 0.218750 0.781250 0.843750 0.0005 975 0.218750 0.781250 0.906250 0.0005 976 0.218750 0.781250 0.968750 0.0005 977 0.218750 0.843750 0.031250 0.0005 978 0.218750 0.843750 0.093750 0.0005 979 0.218750 0.843750 0.156250 0.0005 980 0.218750 0.843750 0.218750 0.0005 981 0.218750 0.843750 0.281250 0.0005 982 0.218750 0.843750 0.343750 0.0005 983 0.218750 0.843750 0.406250 0.0005 984 0.218750 0.843750 0.468750 0.0005 985 0.218750 0.843750 0.531250 0.0005 986 0.218750 0.843750 0.593750 0.0005 987 0.218750 0.843750 0.656250 0.0005 988 0.218750 0.843750 0.718750 0.0005 989 0.218750 0.843750 0.781250 0.0005 990 0.218750 0.843750 0.843750 0.0005 991 0.218750 0.843750 0.906250 0.0005 992 0.218750 0.843750 0.968750 0.0005 993 0.218750 0.906250 0.031250 0.0005 994 0.218750 0.906250 0.093750 0.0005 995 0.218750 0.906250 0.156250 0.0005 996 0.218750 0.906250 0.218750 0.0005 997 0.218750 0.906250 0.281250 0.0005 998 0.218750 0.906250 0.343750 0.0005 999 0.218750 0.906250 0.406250 0.0005 1000 0.218750 0.906250 0.468750 0.0005 1001 0.218750 0.906250 0.531250 0.0005 1002 0.218750 0.906250 0.593750 0.0005 1003 0.218750 0.906250 0.656250 0.0005 1004 0.218750 0.906250 0.718750 0.0005 1005 0.218750 0.906250 0.781250 0.0005 1006 0.218750 0.906250 0.843750 0.0005 1007 0.218750 0.906250 0.906250 0.0005 1008 0.218750 0.906250 0.968750 0.0005 1009 0.218750 0.968750 0.031250 0.0005 1010 0.218750 0.968750 0.093750 0.0005 1011 0.218750 0.968750 0.156250 0.0005 1012 0.218750 0.968750 0.218750 0.0005 1013 0.218750 0.968750 0.281250 0.0005 1014 0.218750 0.968750 0.343750 0.0005 1015 0.218750 0.968750 0.406250 0.0005 1016 0.218750 0.968750 0.468750 0.0005 1017 0.218750 0.968750 0.531250 0.0005 1018 0.218750 0.968750 0.593750 0.0005 1019 0.218750 0.968750 0.656250 0.0005 1020 0.218750 0.968750 0.718750 0.0005 1021 0.218750 0.968750 0.781250 0.0005 1022 0.218750 0.968750 0.843750 0.0005 1023 0.218750 0.968750 0.906250 0.0005 1024 0.218750 0.968750 0.968750 0.0005 1025 0.281250 0.031250 0.031250 0.0005 1026 0.281250 0.031250 0.093750 0.0005 1027 0.281250 0.031250 0.156250 0.0005 1028 0.281250 0.031250 0.218750 0.0005 1029 0.281250 0.031250 0.281250 0.0005 1030 0.281250 0.031250 0.343750 0.0005 1031 0.281250 0.031250 0.406250 0.0005 1032 0.281250 0.031250 0.468750 0.0005 1033 0.281250 0.031250 0.531250 0.0005 1034 0.281250 0.031250 0.593750 0.0005 1035 0.281250 0.031250 0.656250 0.0005 1036 0.281250 0.031250 0.718750 0.0005 1037 0.281250 0.031250 0.781250 0.0005 1038 0.281250 0.031250 0.843750 0.0005 1039 0.281250 0.031250 0.906250 0.0005 1040 0.281250 0.031250 0.968750 0.0005 1041 0.281250 0.093750 0.031250 0.0005 1042 0.281250 0.093750 0.093750 0.0005 1043 0.281250 0.093750 0.156250 0.0005 1044 0.281250 0.093750 0.218750 0.0005 1045 0.281250 0.093750 0.281250 0.0005 1046 0.281250 0.093750 0.343750 0.0005 1047 0.281250 0.093750 0.406250 0.0005 1048 0.281250 0.093750 0.468750 0.0005 1049 0.281250 0.093750 0.531250 0.0005 1050 0.281250 0.093750 0.593750 0.0005 1051 0.281250 0.093750 0.656250 0.0005 1052 0.281250 0.093750 0.718750 0.0005 1053 0.281250 0.093750 0.781250 0.0005 1054 0.281250 0.093750 0.843750 0.0005 1055 0.281250 0.093750 0.906250 0.0005 1056 0.281250 0.093750 0.968750 0.0005 1057 0.281250 0.156250 0.031250 0.0005 1058 0.281250 0.156250 0.093750 0.0005 1059 0.281250 0.156250 0.156250 0.0005 1060 0.281250 0.156250 0.218750 0.0005 1061 0.281250 0.156250 0.281250 0.0005 1062 0.281250 0.156250 0.343750 0.0005 1063 0.281250 0.156250 0.406250 0.0005 1064 0.281250 0.156250 0.468750 0.0005 1065 0.281250 0.156250 0.531250 0.0005 1066 0.281250 0.156250 0.593750 0.0005 1067 0.281250 0.156250 0.656250 0.0005 1068 0.281250 0.156250 0.718750 0.0005 1069 0.281250 0.156250 0.781250 0.0005 1070 0.281250 0.156250 0.843750 0.0005 1071 0.281250 0.156250 0.906250 0.0005 1072 0.281250 0.156250 0.968750 0.0005 1073 0.281250 0.218750 0.031250 0.0005 1074 0.281250 0.218750 0.093750 0.0005 1075 0.281250 0.218750 0.156250 0.0005 1076 0.281250 0.218750 0.218750 0.0005 1077 0.281250 0.218750 0.281250 0.0005 1078 0.281250 0.218750 0.343750 0.0005 1079 0.281250 0.218750 0.406250 0.0005 1080 0.281250 0.218750 0.468750 0.0005 1081 0.281250 0.218750 0.531250 0.0005 1082 0.281250 0.218750 0.593750 0.0005 1083 0.281250 0.218750 0.656250 0.0005 1084 0.281250 0.218750 0.718750 0.0005 1085 0.281250 0.218750 0.781250 0.0005 1086 0.281250 0.218750 0.843750 0.0005 1087 0.281250 0.218750 0.906250 0.0005 1088 0.281250 0.218750 0.968750 0.0005 1089 0.281250 0.281250 0.031250 0.0005 1090 0.281250 0.281250 0.093750 0.0005 1091 0.281250 0.281250 0.156250 0.0005 1092 0.281250 0.281250 0.218750 0.0005 1093 0.281250 0.281250 0.281250 0.0005 1094 0.281250 0.281250 0.343750 0.0005 1095 0.281250 0.281250 0.406250 0.0005 1096 0.281250 0.281250 0.468750 0.0005 1097 0.281250 0.281250 0.531250 0.0005 1098 0.281250 0.281250 0.593750 0.0005 1099 0.281250 0.281250 0.656250 0.0005 1100 0.281250 0.281250 0.718750 0.0005 1101 0.281250 0.281250 0.781250 0.0005 1102 0.281250 0.281250 0.843750 0.0005 1103 0.281250 0.281250 0.906250 0.0005 1104 0.281250 0.281250 0.968750 0.0005 1105 0.281250 0.343750 0.031250 0.0005 1106 0.281250 0.343750 0.093750 0.0005 1107 0.281250 0.343750 0.156250 0.0005 1108 0.281250 0.343750 0.218750 0.0005 1109 0.281250 0.343750 0.281250 0.0005 1110 0.281250 0.343750 0.343750 0.0005 1111 0.281250 0.343750 0.406250 0.0005 1112 0.281250 0.343750 0.468750 0.0005 1113 0.281250 0.343750 0.531250 0.0005 1114 0.281250 0.343750 0.593750 0.0005 1115 0.281250 0.343750 0.656250 0.0005 1116 0.281250 0.343750 0.718750 0.0005 1117 0.281250 0.343750 0.781250 0.0005 1118 0.281250 0.343750 0.843750 0.0005 1119 0.281250 0.343750 0.906250 0.0005 1120 0.281250 0.343750 0.968750 0.0005 1121 0.281250 0.406250 0.031250 0.0005 1122 0.281250 0.406250 0.093750 0.0005 1123 0.281250 0.406250 0.156250 0.0005 1124 0.281250 0.406250 0.218750 0.0005 1125 0.281250 0.406250 0.281250 0.0005 1126 0.281250 0.406250 0.343750 0.0005 1127 0.281250 0.406250 0.406250 0.0005 1128 0.281250 0.406250 0.468750 0.0005 1129 0.281250 0.406250 0.531250 0.0005 1130 0.281250 0.406250 0.593750 0.0005 1131 0.281250 0.406250 0.656250 0.0005 1132 0.281250 0.406250 0.718750 0.0005 1133 0.281250 0.406250 0.781250 0.0005 1134 0.281250 0.406250 0.843750 0.0005 1135 0.281250 0.406250 0.906250 0.0005 1136 0.281250 0.406250 0.968750 0.0005 1137 0.281250 0.468750 0.031250 0.0005 1138 0.281250 0.468750 0.093750 0.0005 1139 0.281250 0.468750 0.156250 0.0005 1140 0.281250 0.468750 0.218750 0.0005 1141 0.281250 0.468750 0.281250 0.0005 1142 0.281250 0.468750 0.343750 0.0005 1143 0.281250 0.468750 0.406250 0.0005 1144 0.281250 0.468750 0.468750 0.0005 1145 0.281250 0.468750 0.531250 0.0005 1146 0.281250 0.468750 0.593750 0.0005 1147 0.281250 0.468750 0.656250 0.0005 1148 0.281250 0.468750 0.718750 0.0005 1149 0.281250 0.468750 0.781250 0.0005 1150 0.281250 0.468750 0.843750 0.0005 1151 0.281250 0.468750 0.906250 0.0005 1152 0.281250 0.468750 0.968750 0.0005 1153 0.281250 0.531250 0.031250 0.0005 1154 0.281250 0.531250 0.093750 0.0005 1155 0.281250 0.531250 0.156250 0.0005 1156 0.281250 0.531250 0.218750 0.0005 1157 0.281250 0.531250 0.281250 0.0005 1158 0.281250 0.531250 0.343750 0.0005 1159 0.281250 0.531250 0.406250 0.0005 1160 0.281250 0.531250 0.468750 0.0005 1161 0.281250 0.531250 0.531250 0.0005 1162 0.281250 0.531250 0.593750 0.0005 1163 0.281250 0.531250 0.656250 0.0005 1164 0.281250 0.531250 0.718750 0.0005 1165 0.281250 0.531250 0.781250 0.0005 1166 0.281250 0.531250 0.843750 0.0005 1167 0.281250 0.531250 0.906250 0.0005 1168 0.281250 0.531250 0.968750 0.0005 1169 0.281250 0.593750 0.031250 0.0005 1170 0.281250 0.593750 0.093750 0.0005 1171 0.281250 0.593750 0.156250 0.0005 1172 0.281250 0.593750 0.218750 0.0005 1173 0.281250 0.593750 0.281250 0.0005 1174 0.281250 0.593750 0.343750 0.0005 1175 0.281250 0.593750 0.406250 0.0005 1176 0.281250 0.593750 0.468750 0.0005 1177 0.281250 0.593750 0.531250 0.0005 1178 0.281250 0.593750 0.593750 0.0005 1179 0.281250 0.593750 0.656250 0.0005 1180 0.281250 0.593750 0.718750 0.0005 1181 0.281250 0.593750 0.781250 0.0005 1182 0.281250 0.593750 0.843750 0.0005 1183 0.281250 0.593750 0.906250 0.0005 1184 0.281250 0.593750 0.968750 0.0005 1185 0.281250 0.656250 0.031250 0.0005 1186 0.281250 0.656250 0.093750 0.0005 1187 0.281250 0.656250 0.156250 0.0005 1188 0.281250 0.656250 0.218750 0.0005 1189 0.281250 0.656250 0.281250 0.0005 1190 0.281250 0.656250 0.343750 0.0005 1191 0.281250 0.656250 0.406250 0.0005 1192 0.281250 0.656250 0.468750 0.0005 1193 0.281250 0.656250 0.531250 0.0005 1194 0.281250 0.656250 0.593750 0.0005 1195 0.281250 0.656250 0.656250 0.0005 1196 0.281250 0.656250 0.718750 0.0005 1197 0.281250 0.656250 0.781250 0.0005 1198 0.281250 0.656250 0.843750 0.0005 1199 0.281250 0.656250 0.906250 0.0005 1200 0.281250 0.656250 0.968750 0.0005 1201 0.281250 0.718750 0.031250 0.0005 1202 0.281250 0.718750 0.093750 0.0005 1203 0.281250 0.718750 0.156250 0.0005 1204 0.281250 0.718750 0.218750 0.0005 1205 0.281250 0.718750 0.281250 0.0005 1206 0.281250 0.718750 0.343750 0.0005 1207 0.281250 0.718750 0.406250 0.0005 1208 0.281250 0.718750 0.468750 0.0005 1209 0.281250 0.718750 0.531250 0.0005 1210 0.281250 0.718750 0.593750 0.0005 1211 0.281250 0.718750 0.656250 0.0005 1212 0.281250 0.718750 0.718750 0.0005 1213 0.281250 0.718750 0.781250 0.0005 1214 0.281250 0.718750 0.843750 0.0005 1215 0.281250 0.718750 0.906250 0.0005 1216 0.281250 0.718750 0.968750 0.0005 1217 0.281250 0.781250 0.031250 0.0005 1218 0.281250 0.781250 0.093750 0.0005 1219 0.281250 0.781250 0.156250 0.0005 1220 0.281250 0.781250 0.218750 0.0005 1221 0.281250 0.781250 0.281250 0.0005 1222 0.281250 0.781250 0.343750 0.0005 1223 0.281250 0.781250 0.406250 0.0005 1224 0.281250 0.781250 0.468750 0.0005 1225 0.281250 0.781250 0.531250 0.0005 1226 0.281250 0.781250 0.593750 0.0005 1227 0.281250 0.781250 0.656250 0.0005 1228 0.281250 0.781250 0.718750 0.0005 1229 0.281250 0.781250 0.781250 0.0005 1230 0.281250 0.781250 0.843750 0.0005 1231 0.281250 0.781250 0.906250 0.0005 1232 0.281250 0.781250 0.968750 0.0005 1233 0.281250 0.843750 0.031250 0.0005 1234 0.281250 0.843750 0.093750 0.0005 1235 0.281250 0.843750 0.156250 0.0005 1236 0.281250 0.843750 0.218750 0.0005 1237 0.281250 0.843750 0.281250 0.0005 1238 0.281250 0.843750 0.343750 0.0005 1239 0.281250 0.843750 0.406250 0.0005 1240 0.281250 0.843750 0.468750 0.0005 1241 0.281250 0.843750 0.531250 0.0005 1242 0.281250 0.843750 0.593750 0.0005 1243 0.281250 0.843750 0.656250 0.0005 1244 0.281250 0.843750 0.718750 0.0005 1245 0.281250 0.843750 0.781250 0.0005 1246 0.281250 0.843750 0.843750 0.0005 1247 0.281250 0.843750 0.906250 0.0005 1248 0.281250 0.843750 0.968750 0.0005 1249 0.281250 0.906250 0.031250 0.0005 1250 0.281250 0.906250 0.093750 0.0005 1251 0.281250 0.906250 0.156250 0.0005 1252 0.281250 0.906250 0.218750 0.0005 1253 0.281250 0.906250 0.281250 0.0005 1254 0.281250 0.906250 0.343750 0.0005 1255 0.281250 0.906250 0.406250 0.0005 1256 0.281250 0.906250 0.468750 0.0005 1257 0.281250 0.906250 0.531250 0.0005 1258 0.281250 0.906250 0.593750 0.0005 1259 0.281250 0.906250 0.656250 0.0005 1260 0.281250 0.906250 0.718750 0.0005 1261 0.281250 0.906250 0.781250 0.0005 1262 0.281250 0.906250 0.843750 0.0005 1263 0.281250 0.906250 0.906250 0.0005 1264 0.281250 0.906250 0.968750 0.0005 1265 0.281250 0.968750 0.031250 0.0005 1266 0.281250 0.968750 0.093750 0.0005 1267 0.281250 0.968750 0.156250 0.0005 1268 0.281250 0.968750 0.218750 0.0005 1269 0.281250 0.968750 0.281250 0.0005 1270 0.281250 0.968750 0.343750 0.0005 1271 0.281250 0.968750 0.406250 0.0005 1272 0.281250 0.968750 0.468750 0.0005 1273 0.281250 0.968750 0.531250 0.0005 1274 0.281250 0.968750 0.593750 0.0005 1275 0.281250 0.968750 0.656250 0.0005 1276 0.281250 0.968750 0.718750 0.0005 1277 0.281250 0.968750 0.781250 0.0005 1278 0.281250 0.968750 0.843750 0.0005 1279 0.281250 0.968750 0.906250 0.0005 1280 0.281250 0.968750 0.968750 0.0005 1281 0.343750 0.031250 0.031250 0.0005 1282 0.343750 0.031250 0.093750 0.0005 1283 0.343750 0.031250 0.156250 0.0005 1284 0.343750 0.031250 0.218750 0.0005 1285 0.343750 0.031250 0.281250 0.0005 1286 0.343750 0.031250 0.343750 0.0005 1287 0.343750 0.031250 0.406250 0.0005 1288 0.343750 0.031250 0.468750 0.0005 1289 0.343750 0.031250 0.531250 0.0005 1290 0.343750 0.031250 0.593750 0.0005 1291 0.343750 0.031250 0.656250 0.0005 1292 0.343750 0.031250 0.718750 0.0005 1293 0.343750 0.031250 0.781250 0.0005 1294 0.343750 0.031250 0.843750 0.0005 1295 0.343750 0.031250 0.906250 0.0005 1296 0.343750 0.031250 0.968750 0.0005 1297 0.343750 0.093750 0.031250 0.0005 1298 0.343750 0.093750 0.093750 0.0005 1299 0.343750 0.093750 0.156250 0.0005 1300 0.343750 0.093750 0.218750 0.0005 1301 0.343750 0.093750 0.281250 0.0005 1302 0.343750 0.093750 0.343750 0.0005 1303 0.343750 0.093750 0.406250 0.0005 1304 0.343750 0.093750 0.468750 0.0005 1305 0.343750 0.093750 0.531250 0.0005 1306 0.343750 0.093750 0.593750 0.0005 1307 0.343750 0.093750 0.656250 0.0005 1308 0.343750 0.093750 0.718750 0.0005 1309 0.343750 0.093750 0.781250 0.0005 1310 0.343750 0.093750 0.843750 0.0005 1311 0.343750 0.093750 0.906250 0.0005 1312 0.343750 0.093750 0.968750 0.0005 1313 0.343750 0.156250 0.031250 0.0005 1314 0.343750 0.156250 0.093750 0.0005 1315 0.343750 0.156250 0.156250 0.0005 1316 0.343750 0.156250 0.218750 0.0005 1317 0.343750 0.156250 0.281250 0.0005 1318 0.343750 0.156250 0.343750 0.0005 1319 0.343750 0.156250 0.406250 0.0005 1320 0.343750 0.156250 0.468750 0.0005 1321 0.343750 0.156250 0.531250 0.0005 1322 0.343750 0.156250 0.593750 0.0005 1323 0.343750 0.156250 0.656250 0.0005 1324 0.343750 0.156250 0.718750 0.0005 1325 0.343750 0.156250 0.781250 0.0005 1326 0.343750 0.156250 0.843750 0.0005 1327 0.343750 0.156250 0.906250 0.0005 1328 0.343750 0.156250 0.968750 0.0005 1329 0.343750 0.218750 0.031250 0.0005 1330 0.343750 0.218750 0.093750 0.0005 1331 0.343750 0.218750 0.156250 0.0005 1332 0.343750 0.218750 0.218750 0.0005 1333 0.343750 0.218750 0.281250 0.0005 1334 0.343750 0.218750 0.343750 0.0005 1335 0.343750 0.218750 0.406250 0.0005 1336 0.343750 0.218750 0.468750 0.0005 1337 0.343750 0.218750 0.531250 0.0005 1338 0.343750 0.218750 0.593750 0.0005 1339 0.343750 0.218750 0.656250 0.0005 1340 0.343750 0.218750 0.718750 0.0005 1341 0.343750 0.218750 0.781250 0.0005 1342 0.343750 0.218750 0.843750 0.0005 1343 0.343750 0.218750 0.906250 0.0005 1344 0.343750 0.218750 0.968750 0.0005 1345 0.343750 0.281250 0.031250 0.0005 1346 0.343750 0.281250 0.093750 0.0005 1347 0.343750 0.281250 0.156250 0.0005 1348 0.343750 0.281250 0.218750 0.0005 1349 0.343750 0.281250 0.281250 0.0005 1350 0.343750 0.281250 0.343750 0.0005 1351 0.343750 0.281250 0.406250 0.0005 1352 0.343750 0.281250 0.468750 0.0005 1353 0.343750 0.281250 0.531250 0.0005 1354 0.343750 0.281250 0.593750 0.0005 1355 0.343750 0.281250 0.656250 0.0005 1356 0.343750 0.281250 0.718750 0.0005 1357 0.343750 0.281250 0.781250 0.0005 1358 0.343750 0.281250 0.843750 0.0005 1359 0.343750 0.281250 0.906250 0.0005 1360 0.343750 0.281250 0.968750 0.0005 1361 0.343750 0.343750 0.031250 0.0005 1362 0.343750 0.343750 0.093750 0.0005 1363 0.343750 0.343750 0.156250 0.0005 1364 0.343750 0.343750 0.218750 0.0005 1365 0.343750 0.343750 0.281250 0.0005 1366 0.343750 0.343750 0.343750 0.0005 1367 0.343750 0.343750 0.406250 0.0005 1368 0.343750 0.343750 0.468750 0.0005 1369 0.343750 0.343750 0.531250 0.0005 1370 0.343750 0.343750 0.593750 0.0005 1371 0.343750 0.343750 0.656250 0.0005 1372 0.343750 0.343750 0.718750 0.0005 1373 0.343750 0.343750 0.781250 0.0005 1374 0.343750 0.343750 0.843750 0.0005 1375 0.343750 0.343750 0.906250 0.0005 1376 0.343750 0.343750 0.968750 0.0005 1377 0.343750 0.406250 0.031250 0.0005 1378 0.343750 0.406250 0.093750 0.0005 1379 0.343750 0.406250 0.156250 0.0005 1380 0.343750 0.406250 0.218750 0.0005 1381 0.343750 0.406250 0.281250 0.0005 1382 0.343750 0.406250 0.343750 0.0005 1383 0.343750 0.406250 0.406250 0.0005 1384 0.343750 0.406250 0.468750 0.0005 1385 0.343750 0.406250 0.531250 0.0005 1386 0.343750 0.406250 0.593750 0.0005 1387 0.343750 0.406250 0.656250 0.0005 1388 0.343750 0.406250 0.718750 0.0005 1389 0.343750 0.406250 0.781250 0.0005 1390 0.343750 0.406250 0.843750 0.0005 1391 0.343750 0.406250 0.906250 0.0005 1392 0.343750 0.406250 0.968750 0.0005 1393 0.343750 0.468750 0.031250 0.0005 1394 0.343750 0.468750 0.093750 0.0005 1395 0.343750 0.468750 0.156250 0.0005 1396 0.343750 0.468750 0.218750 0.0005 1397 0.343750 0.468750 0.281250 0.0005 1398 0.343750 0.468750 0.343750 0.0005 1399 0.343750 0.468750 0.406250 0.0005 1400 0.343750 0.468750 0.468750 0.0005 1401 0.343750 0.468750 0.531250 0.0005 1402 0.343750 0.468750 0.593750 0.0005 1403 0.343750 0.468750 0.656250 0.0005 1404 0.343750 0.468750 0.718750 0.0005 1405 0.343750 0.468750 0.781250 0.0005 1406 0.343750 0.468750 0.843750 0.0005 1407 0.343750 0.468750 0.906250 0.0005 1408 0.343750 0.468750 0.968750 0.0005 1409 0.343750 0.531250 0.031250 0.0005 1410 0.343750 0.531250 0.093750 0.0005 1411 0.343750 0.531250 0.156250 0.0005 1412 0.343750 0.531250 0.218750 0.0005 1413 0.343750 0.531250 0.281250 0.0005 1414 0.343750 0.531250 0.343750 0.0005 1415 0.343750 0.531250 0.406250 0.0005 1416 0.343750 0.531250 0.468750 0.0005 1417 0.343750 0.531250 0.531250 0.0005 1418 0.343750 0.531250 0.593750 0.0005 1419 0.343750 0.531250 0.656250 0.0005 1420 0.343750 0.531250 0.718750 0.0005 1421 0.343750 0.531250 0.781250 0.0005 1422 0.343750 0.531250 0.843750 0.0005 1423 0.343750 0.531250 0.906250 0.0005 1424 0.343750 0.531250 0.968750 0.0005 1425 0.343750 0.593750 0.031250 0.0005 1426 0.343750 0.593750 0.093750 0.0005 1427 0.343750 0.593750 0.156250 0.0005 1428 0.343750 0.593750 0.218750 0.0005 1429 0.343750 0.593750 0.281250 0.0005 1430 0.343750 0.593750 0.343750 0.0005 1431 0.343750 0.593750 0.406250 0.0005 1432 0.343750 0.593750 0.468750 0.0005 1433 0.343750 0.593750 0.531250 0.0005 1434 0.343750 0.593750 0.593750 0.0005 1435 0.343750 0.593750 0.656250 0.0005 1436 0.343750 0.593750 0.718750 0.0005 1437 0.343750 0.593750 0.781250 0.0005 1438 0.343750 0.593750 0.843750 0.0005 1439 0.343750 0.593750 0.906250 0.0005 1440 0.343750 0.593750 0.968750 0.0005 1441 0.343750 0.656250 0.031250 0.0005 1442 0.343750 0.656250 0.093750 0.0005 1443 0.343750 0.656250 0.156250 0.0005 1444 0.343750 0.656250 0.218750 0.0005 1445 0.343750 0.656250 0.281250 0.0005 1446 0.343750 0.656250 0.343750 0.0005 1447 0.343750 0.656250 0.406250 0.0005 1448 0.343750 0.656250 0.468750 0.0005 1449 0.343750 0.656250 0.531250 0.0005 1450 0.343750 0.656250 0.593750 0.0005 1451 0.343750 0.656250 0.656250 0.0005 1452 0.343750 0.656250 0.718750 0.0005 1453 0.343750 0.656250 0.781250 0.0005 1454 0.343750 0.656250 0.843750 0.0005 1455 0.343750 0.656250 0.906250 0.0005 1456 0.343750 0.656250 0.968750 0.0005 1457 0.343750 0.718750 0.031250 0.0005 1458 0.343750 0.718750 0.093750 0.0005 1459 0.343750 0.718750 0.156250 0.0005 1460 0.343750 0.718750 0.218750 0.0005 1461 0.343750 0.718750 0.281250 0.0005 1462 0.343750 0.718750 0.343750 0.0005 1463 0.343750 0.718750 0.406250 0.0005 1464 0.343750 0.718750 0.468750 0.0005 1465 0.343750 0.718750 0.531250 0.0005 1466 0.343750 0.718750 0.593750 0.0005 1467 0.343750 0.718750 0.656250 0.0005 1468 0.343750 0.718750 0.718750 0.0005 1469 0.343750 0.718750 0.781250 0.0005 1470 0.343750 0.718750 0.843750 0.0005 1471 0.343750 0.718750 0.906250 0.0005 1472 0.343750 0.718750 0.968750 0.0005 1473 0.343750 0.781250 0.031250 0.0005 1474 0.343750 0.781250 0.093750 0.0005 1475 0.343750 0.781250 0.156250 0.0005 1476 0.343750 0.781250 0.218750 0.0005 1477 0.343750 0.781250 0.281250 0.0005 1478 0.343750 0.781250 0.343750 0.0005 1479 0.343750 0.781250 0.406250 0.0005 1480 0.343750 0.781250 0.468750 0.0005 1481 0.343750 0.781250 0.531250 0.0005 1482 0.343750 0.781250 0.593750 0.0005 1483 0.343750 0.781250 0.656250 0.0005 1484 0.343750 0.781250 0.718750 0.0005 1485 0.343750 0.781250 0.781250 0.0005 1486 0.343750 0.781250 0.843750 0.0005 1487 0.343750 0.781250 0.906250 0.0005 1488 0.343750 0.781250 0.968750 0.0005 1489 0.343750 0.843750 0.031250 0.0005 1490 0.343750 0.843750 0.093750 0.0005 1491 0.343750 0.843750 0.156250 0.0005 1492 0.343750 0.843750 0.218750 0.0005 1493 0.343750 0.843750 0.281250 0.0005 1494 0.343750 0.843750 0.343750 0.0005 1495 0.343750 0.843750 0.406250 0.0005 1496 0.343750 0.843750 0.468750 0.0005 1497 0.343750 0.843750 0.531250 0.0005 1498 0.343750 0.843750 0.593750 0.0005 1499 0.343750 0.843750 0.656250 0.0005 1500 0.343750 0.843750 0.718750 0.0005 1501 0.343750 0.843750 0.781250 0.0005 1502 0.343750 0.843750 0.843750 0.0005 1503 0.343750 0.843750 0.906250 0.0005 1504 0.343750 0.843750 0.968750 0.0005 1505 0.343750 0.906250 0.031250 0.0005 1506 0.343750 0.906250 0.093750 0.0005 1507 0.343750 0.906250 0.156250 0.0005 1508 0.343750 0.906250 0.218750 0.0005 1509 0.343750 0.906250 0.281250 0.0005 1510 0.343750 0.906250 0.343750 0.0005 1511 0.343750 0.906250 0.406250 0.0005 1512 0.343750 0.906250 0.468750 0.0005 1513 0.343750 0.906250 0.531250 0.0005 1514 0.343750 0.906250 0.593750 0.0005 1515 0.343750 0.906250 0.656250 0.0005 1516 0.343750 0.906250 0.718750 0.0005 1517 0.343750 0.906250 0.781250 0.0005 1518 0.343750 0.906250 0.843750 0.0005 1519 0.343750 0.906250 0.906250 0.0005 1520 0.343750 0.906250 0.968750 0.0005 1521 0.343750 0.968750 0.031250 0.0005 1522 0.343750 0.968750 0.093750 0.0005 1523 0.343750 0.968750 0.156250 0.0005 1524 0.343750 0.968750 0.218750 0.0005 1525 0.343750 0.968750 0.281250 0.0005 1526 0.343750 0.968750 0.343750 0.0005 1527 0.343750 0.968750 0.406250 0.0005 1528 0.343750 0.968750 0.468750 0.0005 1529 0.343750 0.968750 0.531250 0.0005 1530 0.343750 0.968750 0.593750 0.0005 1531 0.343750 0.968750 0.656250 0.0005 1532 0.343750 0.968750 0.718750 0.0005 1533 0.343750 0.968750 0.781250 0.0005 1534 0.343750 0.968750 0.843750 0.0005 1535 0.343750 0.968750 0.906250 0.0005 1536 0.343750 0.968750 0.968750 0.0005 1537 0.406250 0.031250 0.031250 0.0005 1538 0.406250 0.031250 0.093750 0.0005 1539 0.406250 0.031250 0.156250 0.0005 1540 0.406250 0.031250 0.218750 0.0005 1541 0.406250 0.031250 0.281250 0.0005 1542 0.406250 0.031250 0.343750 0.0005 1543 0.406250 0.031250 0.406250 0.0005 1544 0.406250 0.031250 0.468750 0.0005 1545 0.406250 0.031250 0.531250 0.0005 1546 0.406250 0.031250 0.593750 0.0005 1547 0.406250 0.031250 0.656250 0.0005 1548 0.406250 0.031250 0.718750 0.0005 1549 0.406250 0.031250 0.781250 0.0005 1550 0.406250 0.031250 0.843750 0.0005 1551 0.406250 0.031250 0.906250 0.0005 1552 0.406250 0.031250 0.968750 0.0005 1553 0.406250 0.093750 0.031250 0.0005 1554 0.406250 0.093750 0.093750 0.0005 1555 0.406250 0.093750 0.156250 0.0005 1556 0.406250 0.093750 0.218750 0.0005 1557 0.406250 0.093750 0.281250 0.0005 1558 0.406250 0.093750 0.343750 0.0005 1559 0.406250 0.093750 0.406250 0.0005 1560 0.406250 0.093750 0.468750 0.0005 1561 0.406250 0.093750 0.531250 0.0005 1562 0.406250 0.093750 0.593750 0.0005 1563 0.406250 0.093750 0.656250 0.0005 1564 0.406250 0.093750 0.718750 0.0005 1565 0.406250 0.093750 0.781250 0.0005 1566 0.406250 0.093750 0.843750 0.0005 1567 0.406250 0.093750 0.906250 0.0005 1568 0.406250 0.093750 0.968750 0.0005 1569 0.406250 0.156250 0.031250 0.0005 1570 0.406250 0.156250 0.093750 0.0005 1571 0.406250 0.156250 0.156250 0.0005 1572 0.406250 0.156250 0.218750 0.0005 1573 0.406250 0.156250 0.281250 0.0005 1574 0.406250 0.156250 0.343750 0.0005 1575 0.406250 0.156250 0.406250 0.0005 1576 0.406250 0.156250 0.468750 0.0005 1577 0.406250 0.156250 0.531250 0.0005 1578 0.406250 0.156250 0.593750 0.0005 1579 0.406250 0.156250 0.656250 0.0005 1580 0.406250 0.156250 0.718750 0.0005 1581 0.406250 0.156250 0.781250 0.0005 1582 0.406250 0.156250 0.843750 0.0005 1583 0.406250 0.156250 0.906250 0.0005 1584 0.406250 0.156250 0.968750 0.0005 1585 0.406250 0.218750 0.031250 0.0005 1586 0.406250 0.218750 0.093750 0.0005 1587 0.406250 0.218750 0.156250 0.0005 1588 0.406250 0.218750 0.218750 0.0005 1589 0.406250 0.218750 0.281250 0.0005 1590 0.406250 0.218750 0.343750 0.0005 1591 0.406250 0.218750 0.406250 0.0005 1592 0.406250 0.218750 0.468750 0.0005 1593 0.406250 0.218750 0.531250 0.0005 1594 0.406250 0.218750 0.593750 0.0005 1595 0.406250 0.218750 0.656250 0.0005 1596 0.406250 0.218750 0.718750 0.0005 1597 0.406250 0.218750 0.781250 0.0005 1598 0.406250 0.218750 0.843750 0.0005 1599 0.406250 0.218750 0.906250 0.0005 1600 0.406250 0.218750 0.968750 0.0005 1601 0.406250 0.281250 0.031250 0.0005 1602 0.406250 0.281250 0.093750 0.0005 1603 0.406250 0.281250 0.156250 0.0005 1604 0.406250 0.281250 0.218750 0.0005 1605 0.406250 0.281250 0.281250 0.0005 1606 0.406250 0.281250 0.343750 0.0005 1607 0.406250 0.281250 0.406250 0.0005 1608 0.406250 0.281250 0.468750 0.0005 1609 0.406250 0.281250 0.531250 0.0005 1610 0.406250 0.281250 0.593750 0.0005 1611 0.406250 0.281250 0.656250 0.0005 1612 0.406250 0.281250 0.718750 0.0005 1613 0.406250 0.281250 0.781250 0.0005 1614 0.406250 0.281250 0.843750 0.0005 1615 0.406250 0.281250 0.906250 0.0005 1616 0.406250 0.281250 0.968750 0.0005 1617 0.406250 0.343750 0.031250 0.0005 1618 0.406250 0.343750 0.093750 0.0005 1619 0.406250 0.343750 0.156250 0.0005 1620 0.406250 0.343750 0.218750 0.0005 1621 0.406250 0.343750 0.281250 0.0005 1622 0.406250 0.343750 0.343750 0.0005 1623 0.406250 0.343750 0.406250 0.0005 1624 0.406250 0.343750 0.468750 0.0005 1625 0.406250 0.343750 0.531250 0.0005 1626 0.406250 0.343750 0.593750 0.0005 1627 0.406250 0.343750 0.656250 0.0005 1628 0.406250 0.343750 0.718750 0.0005 1629 0.406250 0.343750 0.781250 0.0005 1630 0.406250 0.343750 0.843750 0.0005 1631 0.406250 0.343750 0.906250 0.0005 1632 0.406250 0.343750 0.968750 0.0005 1633 0.406250 0.406250 0.031250 0.0005 1634 0.406250 0.406250 0.093750 0.0005 1635 0.406250 0.406250 0.156250 0.0005 1636 0.406250 0.406250 0.218750 0.0005 1637 0.406250 0.406250 0.281250 0.0005 1638 0.406250 0.406250 0.343750 0.0005 1639 0.406250 0.406250 0.406250 0.0005 1640 0.406250 0.406250 0.468750 0.0005 1641 0.406250 0.406250 0.531250 0.0005 1642 0.406250 0.406250 0.593750 0.0005 1643 0.406250 0.406250 0.656250 0.0005 1644 0.406250 0.406250 0.718750 0.0005 1645 0.406250 0.406250 0.781250 0.0005 1646 0.406250 0.406250 0.843750 0.0005 1647 0.406250 0.406250 0.906250 0.0005 1648 0.406250 0.406250 0.968750 0.0005 1649 0.406250 0.468750 0.031250 0.0005 1650 0.406250 0.468750 0.093750 0.0005 1651 0.406250 0.468750 0.156250 0.0005 1652 0.406250 0.468750 0.218750 0.0005 1653 0.406250 0.468750 0.281250 0.0005 1654 0.406250 0.468750 0.343750 0.0005 1655 0.406250 0.468750 0.406250 0.0005 1656 0.406250 0.468750 0.468750 0.0005 1657 0.406250 0.468750 0.531250 0.0005 1658 0.406250 0.468750 0.593750 0.0005 1659 0.406250 0.468750 0.656250 0.0005 1660 0.406250 0.468750 0.718750 0.0005 1661 0.406250 0.468750 0.781250 0.0005 1662 0.406250 0.468750 0.843750 0.0005 1663 0.406250 0.468750 0.906250 0.0005 1664 0.406250 0.468750 0.968750 0.0005 1665 0.406250 0.531250 0.031250 0.0005 1666 0.406250 0.531250 0.093750 0.0005 1667 0.406250 0.531250 0.156250 0.0005 1668 0.406250 0.531250 0.218750 0.0005 1669 0.406250 0.531250 0.281250 0.0005 1670 0.406250 0.531250 0.343750 0.0005 1671 0.406250 0.531250 0.406250 0.0005 1672 0.406250 0.531250 0.468750 0.0005 1673 0.406250 0.531250 0.531250 0.0005 1674 0.406250 0.531250 0.593750 0.0005 1675 0.406250 0.531250 0.656250 0.0005 1676 0.406250 0.531250 0.718750 0.0005 1677 0.406250 0.531250 0.781250 0.0005 1678 0.406250 0.531250 0.843750 0.0005 1679 0.406250 0.531250 0.906250 0.0005 1680 0.406250 0.531250 0.968750 0.0005 1681 0.406250 0.593750 0.031250 0.0005 1682 0.406250 0.593750 0.093750 0.0005 1683 0.406250 0.593750 0.156250 0.0005 1684 0.406250 0.593750 0.218750 0.0005 1685 0.406250 0.593750 0.281250 0.0005 1686 0.406250 0.593750 0.343750 0.0005 1687 0.406250 0.593750 0.406250 0.0005 1688 0.406250 0.593750 0.468750 0.0005 1689 0.406250 0.593750 0.531250 0.0005 1690 0.406250 0.593750 0.593750 0.0005 1691 0.406250 0.593750 0.656250 0.0005 1692 0.406250 0.593750 0.718750 0.0005 1693 0.406250 0.593750 0.781250 0.0005 1694 0.406250 0.593750 0.843750 0.0005 1695 0.406250 0.593750 0.906250 0.0005 1696 0.406250 0.593750 0.968750 0.0005 1697 0.406250 0.656250 0.031250 0.0005 1698 0.406250 0.656250 0.093750 0.0005 1699 0.406250 0.656250 0.156250 0.0005 1700 0.406250 0.656250 0.218750 0.0005 1701 0.406250 0.656250 0.281250 0.0005 1702 0.406250 0.656250 0.343750 0.0005 1703 0.406250 0.656250 0.406250 0.0005 1704 0.406250 0.656250 0.468750 0.0005 1705 0.406250 0.656250 0.531250 0.0005 1706 0.406250 0.656250 0.593750 0.0005 1707 0.406250 0.656250 0.656250 0.0005 1708 0.406250 0.656250 0.718750 0.0005 1709 0.406250 0.656250 0.781250 0.0005 1710 0.406250 0.656250 0.843750 0.0005 1711 0.406250 0.656250 0.906250 0.0005 1712 0.406250 0.656250 0.968750 0.0005 1713 0.406250 0.718750 0.031250 0.0005 1714 0.406250 0.718750 0.093750 0.0005 1715 0.406250 0.718750 0.156250 0.0005 1716 0.406250 0.718750 0.218750 0.0005 1717 0.406250 0.718750 0.281250 0.0005 1718 0.406250 0.718750 0.343750 0.0005 1719 0.406250 0.718750 0.406250 0.0005 1720 0.406250 0.718750 0.468750 0.0005 1721 0.406250 0.718750 0.531250 0.0005 1722 0.406250 0.718750 0.593750 0.0005 1723 0.406250 0.718750 0.656250 0.0005 1724 0.406250 0.718750 0.718750 0.0005 1725 0.406250 0.718750 0.781250 0.0005 1726 0.406250 0.718750 0.843750 0.0005 1727 0.406250 0.718750 0.906250 0.0005 1728 0.406250 0.718750 0.968750 0.0005 1729 0.406250 0.781250 0.031250 0.0005 1730 0.406250 0.781250 0.093750 0.0005 1731 0.406250 0.781250 0.156250 0.0005 1732 0.406250 0.781250 0.218750 0.0005 1733 0.406250 0.781250 0.281250 0.0005 1734 0.406250 0.781250 0.343750 0.0005 1735 0.406250 0.781250 0.406250 0.0005 1736 0.406250 0.781250 0.468750 0.0005 1737 0.406250 0.781250 0.531250 0.0005 1738 0.406250 0.781250 0.593750 0.0005 1739 0.406250 0.781250 0.656250 0.0005 1740 0.406250 0.781250 0.718750 0.0005 1741 0.406250 0.781250 0.781250 0.0005 1742 0.406250 0.781250 0.843750 0.0005 1743 0.406250 0.781250 0.906250 0.0005 1744 0.406250 0.781250 0.968750 0.0005 1745 0.406250 0.843750 0.031250 0.0005 1746 0.406250 0.843750 0.093750 0.0005 1747 0.406250 0.843750 0.156250 0.0005 1748 0.406250 0.843750 0.218750 0.0005 1749 0.406250 0.843750 0.281250 0.0005 1750 0.406250 0.843750 0.343750 0.0005 1751 0.406250 0.843750 0.406250 0.0005 1752 0.406250 0.843750 0.468750 0.0005 1753 0.406250 0.843750 0.531250 0.0005 1754 0.406250 0.843750 0.593750 0.0005 1755 0.406250 0.843750 0.656250 0.0005 1756 0.406250 0.843750 0.718750 0.0005 1757 0.406250 0.843750 0.781250 0.0005 1758 0.406250 0.843750 0.843750 0.0005 1759 0.406250 0.843750 0.906250 0.0005 1760 0.406250 0.843750 0.968750 0.0005 1761 0.406250 0.906250 0.031250 0.0005 1762 0.406250 0.906250 0.093750 0.0005 1763 0.406250 0.906250 0.156250 0.0005 1764 0.406250 0.906250 0.218750 0.0005 1765 0.406250 0.906250 0.281250 0.0005 1766 0.406250 0.906250 0.343750 0.0005 1767 0.406250 0.906250 0.406250 0.0005 1768 0.406250 0.906250 0.468750 0.0005 1769 0.406250 0.906250 0.531250 0.0005 1770 0.406250 0.906250 0.593750 0.0005 1771 0.406250 0.906250 0.656250 0.0005 1772 0.406250 0.906250 0.718750 0.0005 1773 0.406250 0.906250 0.781250 0.0005 1774 0.406250 0.906250 0.843750 0.0005 1775 0.406250 0.906250 0.906250 0.0005 1776 0.406250 0.906250 0.968750 0.0005 1777 0.406250 0.968750 0.031250 0.0005 1778 0.406250 0.968750 0.093750 0.0005 1779 0.406250 0.968750 0.156250 0.0005 1780 0.406250 0.968750 0.218750 0.0005 1781 0.406250 0.968750 0.281250 0.0005 1782 0.406250 0.968750 0.343750 0.0005 1783 0.406250 0.968750 0.406250 0.0005 1784 0.406250 0.968750 0.468750 0.0005 1785 0.406250 0.968750 0.531250 0.0005 1786 0.406250 0.968750 0.593750 0.0005 1787 0.406250 0.968750 0.656250 0.0005 1788 0.406250 0.968750 0.718750 0.0005 1789 0.406250 0.968750 0.781250 0.0005 1790 0.406250 0.968750 0.843750 0.0005 1791 0.406250 0.968750 0.906250 0.0005 1792 0.406250 0.968750 0.968750 0.0005 1793 0.468750 0.031250 0.031250 0.0005 1794 0.468750 0.031250 0.093750 0.0005 1795 0.468750 0.031250 0.156250 0.0005 1796 0.468750 0.031250 0.218750 0.0005 1797 0.468750 0.031250 0.281250 0.0005 1798 0.468750 0.031250 0.343750 0.0005 1799 0.468750 0.031250 0.406250 0.0005 1800 0.468750 0.031250 0.468750 0.0005 1801 0.468750 0.031250 0.531250 0.0005 1802 0.468750 0.031250 0.593750 0.0005 1803 0.468750 0.031250 0.656250 0.0005 1804 0.468750 0.031250 0.718750 0.0005 1805 0.468750 0.031250 0.781250 0.0005 1806 0.468750 0.031250 0.843750 0.0005 1807 0.468750 0.031250 0.906250 0.0005 1808 0.468750 0.031250 0.968750 0.0005 1809 0.468750 0.093750 0.031250 0.0005 1810 0.468750 0.093750 0.093750 0.0005 1811 0.468750 0.093750 0.156250 0.0005 1812 0.468750 0.093750 0.218750 0.0005 1813 0.468750 0.093750 0.281250 0.0005 1814 0.468750 0.093750 0.343750 0.0005 1815 0.468750 0.093750 0.406250 0.0005 1816 0.468750 0.093750 0.468750 0.0005 1817 0.468750 0.093750 0.531250 0.0005 1818 0.468750 0.093750 0.593750 0.0005 1819 0.468750 0.093750 0.656250 0.0005 1820 0.468750 0.093750 0.718750 0.0005 1821 0.468750 0.093750 0.781250 0.0005 1822 0.468750 0.093750 0.843750 0.0005 1823 0.468750 0.093750 0.906250 0.0005 1824 0.468750 0.093750 0.968750 0.0005 1825 0.468750 0.156250 0.031250 0.0005 1826 0.468750 0.156250 0.093750 0.0005 1827 0.468750 0.156250 0.156250 0.0005 1828 0.468750 0.156250 0.218750 0.0005 1829 0.468750 0.156250 0.281250 0.0005 1830 0.468750 0.156250 0.343750 0.0005 1831 0.468750 0.156250 0.406250 0.0005 1832 0.468750 0.156250 0.468750 0.0005 1833 0.468750 0.156250 0.531250 0.0005 1834 0.468750 0.156250 0.593750 0.0005 1835 0.468750 0.156250 0.656250 0.0005 1836 0.468750 0.156250 0.718750 0.0005 1837 0.468750 0.156250 0.781250 0.0005 1838 0.468750 0.156250 0.843750 0.0005 1839 0.468750 0.156250 0.906250 0.0005 1840 0.468750 0.156250 0.968750 0.0005 1841 0.468750 0.218750 0.031250 0.0005 1842 0.468750 0.218750 0.093750 0.0005 1843 0.468750 0.218750 0.156250 0.0005 1844 0.468750 0.218750 0.218750 0.0005 1845 0.468750 0.218750 0.281250 0.0005 1846 0.468750 0.218750 0.343750 0.0005 1847 0.468750 0.218750 0.406250 0.0005 1848 0.468750 0.218750 0.468750 0.0005 1849 0.468750 0.218750 0.531250 0.0005 1850 0.468750 0.218750 0.593750 0.0005 1851 0.468750 0.218750 0.656250 0.0005 1852 0.468750 0.218750 0.718750 0.0005 1853 0.468750 0.218750 0.781250 0.0005 1854 0.468750 0.218750 0.843750 0.0005 1855 0.468750 0.218750 0.906250 0.0005 1856 0.468750 0.218750 0.968750 0.0005 1857 0.468750 0.281250 0.031250 0.0005 1858 0.468750 0.281250 0.093750 0.0005 1859 0.468750 0.281250 0.156250 0.0005 1860 0.468750 0.281250 0.218750 0.0005 1861 0.468750 0.281250 0.281250 0.0005 1862 0.468750 0.281250 0.343750 0.0005 1863 0.468750 0.281250 0.406250 0.0005 1864 0.468750 0.281250 0.468750 0.0005 1865 0.468750 0.281250 0.531250 0.0005 1866 0.468750 0.281250 0.593750 0.0005 1867 0.468750 0.281250 0.656250 0.0005 1868 0.468750 0.281250 0.718750 0.0005 1869 0.468750 0.281250 0.781250 0.0005 1870 0.468750 0.281250 0.843750 0.0005 1871 0.468750 0.281250 0.906250 0.0005 1872 0.468750 0.281250 0.968750 0.0005 1873 0.468750 0.343750 0.031250 0.0005 1874 0.468750 0.343750 0.093750 0.0005 1875 0.468750 0.343750 0.156250 0.0005 1876 0.468750 0.343750 0.218750 0.0005 1877 0.468750 0.343750 0.281250 0.0005 1878 0.468750 0.343750 0.343750 0.0005 1879 0.468750 0.343750 0.406250 0.0005 1880 0.468750 0.343750 0.468750 0.0005 1881 0.468750 0.343750 0.531250 0.0005 1882 0.468750 0.343750 0.593750 0.0005 1883 0.468750 0.343750 0.656250 0.0005 1884 0.468750 0.343750 0.718750 0.0005 1885 0.468750 0.343750 0.781250 0.0005 1886 0.468750 0.343750 0.843750 0.0005 1887 0.468750 0.343750 0.906250 0.0005 1888 0.468750 0.343750 0.968750 0.0005 1889 0.468750 0.406250 0.031250 0.0005 1890 0.468750 0.406250 0.093750 0.0005 1891 0.468750 0.406250 0.156250 0.0005 1892 0.468750 0.406250 0.218750 0.0005 1893 0.468750 0.406250 0.281250 0.0005 1894 0.468750 0.406250 0.343750 0.0005 1895 0.468750 0.406250 0.406250 0.0005 1896 0.468750 0.406250 0.468750 0.0005 1897 0.468750 0.406250 0.531250 0.0005 1898 0.468750 0.406250 0.593750 0.0005 1899 0.468750 0.406250 0.656250 0.0005 1900 0.468750 0.406250 0.718750 0.0005 1901 0.468750 0.406250 0.781250 0.0005 1902 0.468750 0.406250 0.843750 0.0005 1903 0.468750 0.406250 0.906250 0.0005 1904 0.468750 0.406250 0.968750 0.0005 1905 0.468750 0.468750 0.031250 0.0005 1906 0.468750 0.468750 0.093750 0.0005 1907 0.468750 0.468750 0.156250 0.0005 1908 0.468750 0.468750 0.218750 0.0005 1909 0.468750 0.468750 0.281250 0.0005 1910 0.468750 0.468750 0.343750 0.0005 1911 0.468750 0.468750 0.406250 0.0005 1912 0.468750 0.468750 0.468750 0.0005 1913 0.468750 0.468750 0.531250 0.0005 1914 0.468750 0.468750 0.593750 0.0005 1915 0.468750 0.468750 0.656250 0.0005 1916 0.468750 0.468750 0.718750 0.0005 1917 0.468750 0.468750 0.781250 0.0005 1918 0.468750 0.468750 0.843750 0.0005 1919 0.468750 0.468750 0.906250 0.0005 1920 0.468750 0.468750 0.968750 0.0005 1921 0.468750 0.531250 0.031250 0.0005 1922 0.468750 0.531250 0.093750 0.0005 1923 0.468750 0.531250 0.156250 0.0005 1924 0.468750 0.531250 0.218750 0.0005 1925 0.468750 0.531250 0.281250 0.0005 1926 0.468750 0.531250 0.343750 0.0005 1927 0.468750 0.531250 0.406250 0.0005 1928 0.468750 0.531250 0.468750 0.0005 1929 0.468750 0.531250 0.531250 0.0005 1930 0.468750 0.531250 0.593750 0.0005 1931 0.468750 0.531250 0.656250 0.0005 1932 0.468750 0.531250 0.718750 0.0005 1933 0.468750 0.531250 0.781250 0.0005 1934 0.468750 0.531250 0.843750 0.0005 1935 0.468750 0.531250 0.906250 0.0005 1936 0.468750 0.531250 0.968750 0.0005 1937 0.468750 0.593750 0.031250 0.0005 1938 0.468750 0.593750 0.093750 0.0005 1939 0.468750 0.593750 0.156250 0.0005 1940 0.468750 0.593750 0.218750 0.0005 1941 0.468750 0.593750 0.281250 0.0005 1942 0.468750 0.593750 0.343750 0.0005 1943 0.468750 0.593750 0.406250 0.0005 1944 0.468750 0.593750 0.468750 0.0005 1945 0.468750 0.593750 0.531250 0.0005 1946 0.468750 0.593750 0.593750 0.0005 1947 0.468750 0.593750 0.656250 0.0005 1948 0.468750 0.593750 0.718750 0.0005 1949 0.468750 0.593750 0.781250 0.0005 1950 0.468750 0.593750 0.843750 0.0005 1951 0.468750 0.593750 0.906250 0.0005 1952 0.468750 0.593750 0.968750 0.0005 1953 0.468750 0.656250 0.031250 0.0005 1954 0.468750 0.656250 0.093750 0.0005 1955 0.468750 0.656250 0.156250 0.0005 1956 0.468750 0.656250 0.218750 0.0005 1957 0.468750 0.656250 0.281250 0.0005 1958 0.468750 0.656250 0.343750 0.0005 1959 0.468750 0.656250 0.406250 0.0005 1960 0.468750 0.656250 0.468750 0.0005 1961 0.468750 0.656250 0.531250 0.0005 1962 0.468750 0.656250 0.593750 0.0005 1963 0.468750 0.656250 0.656250 0.0005 1964 0.468750 0.656250 0.718750 0.0005 1965 0.468750 0.656250 0.781250 0.0005 1966 0.468750 0.656250 0.843750 0.0005 1967 0.468750 0.656250 0.906250 0.0005 1968 0.468750 0.656250 0.968750 0.0005 1969 0.468750 0.718750 0.031250 0.0005 1970 0.468750 0.718750 0.093750 0.0005 1971 0.468750 0.718750 0.156250 0.0005 1972 0.468750 0.718750 0.218750 0.0005 1973 0.468750 0.718750 0.281250 0.0005 1974 0.468750 0.718750 0.343750 0.0005 1975 0.468750 0.718750 0.406250 0.0005 1976 0.468750 0.718750 0.468750 0.0005 1977 0.468750 0.718750 0.531250 0.0005 1978 0.468750 0.718750 0.593750 0.0005 1979 0.468750 0.718750 0.656250 0.0005 1980 0.468750 0.718750 0.718750 0.0005 1981 0.468750 0.718750 0.781250 0.0005 1982 0.468750 0.718750 0.843750 0.0005 1983 0.468750 0.718750 0.906250 0.0005 1984 0.468750 0.718750 0.968750 0.0005 1985 0.468750 0.781250 0.031250 0.0005 1986 0.468750 0.781250 0.093750 0.0005 1987 0.468750 0.781250 0.156250 0.0005 1988 0.468750 0.781250 0.218750 0.0005 1989 0.468750 0.781250 0.281250 0.0005 1990 0.468750 0.781250 0.343750 0.0005 1991 0.468750 0.781250 0.406250 0.0005 1992 0.468750 0.781250 0.468750 0.0005 1993 0.468750 0.781250 0.531250 0.0005 1994 0.468750 0.781250 0.593750 0.0005 1995 0.468750 0.781250 0.656250 0.0005 1996 0.468750 0.781250 0.718750 0.0005 1997 0.468750 0.781250 0.781250 0.0005 1998 0.468750 0.781250 0.843750 0.0005 1999 0.468750 0.781250 0.906250 0.0005 2000 0.468750 0.781250 0.968750 0.0005 2001 0.468750 0.843750 0.031250 0.0005 2002 0.468750 0.843750 0.093750 0.0005 2003 0.468750 0.843750 0.156250 0.0005 2004 0.468750 0.843750 0.218750 0.0005 2005 0.468750 0.843750 0.281250 0.0005 2006 0.468750 0.843750 0.343750 0.0005 2007 0.468750 0.843750 0.406250 0.0005 2008 0.468750 0.843750 0.468750 0.0005 2009 0.468750 0.843750 0.531250 0.0005 2010 0.468750 0.843750 0.593750 0.0005 2011 0.468750 0.843750 0.656250 0.0005 2012 0.468750 0.843750 0.718750 0.0005 2013 0.468750 0.843750 0.781250 0.0005 2014 0.468750 0.843750 0.843750 0.0005 2015 0.468750 0.843750 0.906250 0.0005 2016 0.468750 0.843750 0.968750 0.0005 2017 0.468750 0.906250 0.031250 0.0005 2018 0.468750 0.906250 0.093750 0.0005 2019 0.468750 0.906250 0.156250 0.0005 2020 0.468750 0.906250 0.218750 0.0005 2021 0.468750 0.906250 0.281250 0.0005 2022 0.468750 0.906250 0.343750 0.0005 2023 0.468750 0.906250 0.406250 0.0005 2024 0.468750 0.906250 0.468750 0.0005 2025 0.468750 0.906250 0.531250 0.0005 2026 0.468750 0.906250 0.593750 0.0005 2027 0.468750 0.906250 0.656250 0.0005 2028 0.468750 0.906250 0.718750 0.0005 2029 0.468750 0.906250 0.781250 0.0005 2030 0.468750 0.906250 0.843750 0.0005 2031 0.468750 0.906250 0.906250 0.0005 2032 0.468750 0.906250 0.968750 0.0005 2033 0.468750 0.968750 0.031250 0.0005 2034 0.468750 0.968750 0.093750 0.0005 2035 0.468750 0.968750 0.156250 0.0005 2036 0.468750 0.968750 0.218750 0.0005 2037 0.468750 0.968750 0.281250 0.0005 2038 0.468750 0.968750 0.343750 0.0005 2039 0.468750 0.968750 0.406250 0.0005 2040 0.468750 0.968750 0.468750 0.0005 2041 0.468750 0.968750 0.531250 0.0005 2042 0.468750 0.968750 0.593750 0.0005 2043 0.468750 0.968750 0.656250 0.0005 2044 0.468750 0.968750 0.718750 0.0005 2045 0.468750 0.968750 0.781250 0.0005 2046 0.468750 0.968750 0.843750 0.0005 2047 0.468750 0.968750 0.906250 0.0005 2048 0.468750 0.968750 0.968750 0.0005 -------------------------------------------------------------------------------- ******************************************************************************** * General input information * ******************************************************************************** Species output for all configurations : -------------------------------------------------------------------------------- Species Type Atomic Atomic Charge Radii (Angs) Library Number Mass (e) Cova Ionic VDW Symbol -------------------------------------------------------------------------------- O Core 8 16.00 -2.0000 0.730 0.000 1.360 Mg Core 12 24.31 2.0000 1.100 0.000 1.640 -------------------------------------------------------------------------------- Lattice summation method = Ewald Accuracy factor for lattice sums = 8.000 Time limit = Infinity General interatomic potentials : -------------------------------------------------------------------------------- Atom Types Potential A B C D Cutoffs(Ang) 1 2 Min Max -------------------------------------------------------------------------------- O c Mg c Buckingham 0.130E+04 0.300 0.00 0.00 0.000 12.000 O c O c Buckingham 0.228E+05 0.149 27.9 0.00 0.000 12.000 -------------------------------------------------------------------------------- ******************************************************************************** * Output for configuration 1 * ******************************************************************************** Components of energy : -------------------------------------------------------------------------------- Interatomic potentials = 6.72119980 eV Monopole - monopole (real) = -5.11592628 eV Monopole - monopole (recip)= -42.68059111 eV Monopole - monopole (total)= -47.79651739 eV -------------------------------------------------------------------------------- Total lattice energy = -41.07531759 eV -------------------------------------------------------------------------------- Total lattice energy = -3963.1403 kJ/(mole unit cells) -------------------------------------------------------------------------------- Born effective charge tensors : ------------------------------------------------------------------------------- Atom x y z ------------------------------------------------------------------------------- 1 O x -2.0000 0.0000 0.0000 y 0.0000 -2.0000 0.0000 z 0.0000 0.0000 -2.0000 ------------------------------------------------------------------------------- 2 Mg x 2.0000 0.0000 0.0000 y 0.0000 2.0000 0.0000 z 0.0000 0.0000 2.0000 ------------------------------------------------------------------------------- Elastic Constant Matrix: (Units=GPa) ------------------------------------------------------------------------------- Indices 1 2 3 4 5 6 ------------------------------------------------------------------------------- 1 372.1322 162.8789 162.8789 0.0000 0.0000 0.0000 2 162.8789 372.1322 162.8789 0.0000 0.0000 0.0000 3 162.8789 162.8789 372.1322 0.0000 0.0000 0.0000 4 0.0000 0.0000 0.0000 162.8713 0.0000 0.0000 5 0.0000 0.0000 0.0000 0.0000 162.8713 0.0000 6 0.0000 0.0000 0.0000 0.0000 0.0000 162.8713 ------------------------------------------------------------------------------- Elastic Compliance Matrix: (Units=1/GPa) ------------------------------------------------------------------------------- Indices 1 2 3 4 5 6 ------------------------------------------------------------------------------- 1 0.003664 -0.001115 -0.001115 0.000000 0.000000 0.000000 2 -0.001115 0.003664 -0.001115 0.000000 0.000000 0.000000 3 -0.001115 -0.001115 0.003664 0.000000 0.000000 0.000000 4 0.000000 0.000000 0.000000 0.006140 0.000000 0.000000 5 0.000000 0.000000 0.000000 0.000000 0.006140 0.000000 6 0.000000 0.000000 0.000000 0.000000 0.000000 0.006140 ------------------------------------------------------------------------------- Mechanical properties : ------------------------------------------------------------------------------- Convention : Reuss Voight Hill ------------------------------------------------------------------------------- Bulk Modulus (GPa) = 232.62999 232.62999 232.62999 Shear Modulus (GPa) = 133.20887 139.57346 136.39116 ------------------------------------------------------------------------------- Velocity S-wave (km/s) = 19.28082 19.73605 19.50976 Velocity P-wave (km/s) = 33.83599 34.18415 34.01052 ------------------------------------------------------------------------------- Compressibility (1/GPa) = 0.00042987 ------------------------------------------------------------------------------- Stress axis : x y z ------------------------------------------------------------------------------- Youngs Modulii (GPa) = 272.95840 272.95840 272.95840 ------------------------------------------------------------------------------- Poissons Ratio (x) = 0.30444 0.30444 Poissons Ratio (y) = 0.30444 0.30444 Poissons Ratio (z) = 0.30444 0.30444 ------------------------------------------------------------------------------- Piezoelectric Strain Matrix: (Units=C/m**2) ------------------------------------------------------------------------------- Indices 1 2 3 4 5 6 ------------------------------------------------------------------------------- x 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 y 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 z 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 ------------------------------------------------------------------------------- Piezoelectric Stress Matrix: (Units=10**-11 C/N) ------------------------------------------------------------------------------- Indices 1 2 3 4 5 6 ------------------------------------------------------------------------------- x 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 y 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 z 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 ------------------------------------------------------------------------------- Static dielectric constant tensor : ------------------------------------------------------------------------------- x y z ------------------------------------------------------------------------------- x 7.83192 0.00000 0.00000 y 0.00000 7.83192 0.00000 z 0.00000 0.00000 7.83192 -------------------------------------------------------------------------------- Static refractive indices : ------------------------------------------------------------------------------- 1 = 2.79856 2 = 2.79856 3 = 2.79856 ------------------------------------------------------------------------------- Phonon Calculation : Number of k points for this configuration = 2048 -------------------------------------------------------------------------------- K point 1 = 0.031250 0.031250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 25.19 25.19 48.02 399.57 399.57 1117.25 -------------------------------------------------------------------------------- K point 2 = 0.031250 0.031250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 59.00 70.79 118.32 396.85 401.32 1108.36 -------------------------------------------------------------------------------- K point 3 = 0.031250 0.031250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 105.44 116.95 210.12 392.54 400.19 1087.46 -------------------------------------------------------------------------------- K point 4 = 0.031250 0.031250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 150.89 160.86 303.58 386.73 396.70 1054.92 -------------------------------------------------------------------------------- K point 5 = 0.031250 0.031250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.98 200.81 379.47 389.81 397.36 1011.65 -------------------------------------------------------------------------------- K point 6 = 0.031250 0.031250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 230.28 235.62 370.87 382.30 487.06 959.13 -------------------------------------------------------------------------------- K point 7 = 0.031250 0.031250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 261.27 264.19 361.50 371.86 572.70 900.02 -------------------------------------------------------------------------------- K point 8 = 0.031250 0.031250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.87 284.46 353.66 360.93 646.00 841.86 -------------------------------------------------------------------------------- K point 9 = 0.031250 0.031250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 288.57 291.12 353.29 354.73 673.60 818.05 -------------------------------------------------------------------------------- K point 10 = 0.031250 0.031250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.35 279.40 358.22 362.12 623.97 860.11 -------------------------------------------------------------------------------- K point 11 = 0.031250 0.031250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 252.75 254.28 366.83 373.49 544.94 920.20 -------------------------------------------------------------------------------- K point 12 = 0.031250 0.031250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 221.07 221.83 375.85 383.56 457.27 977.53 -------------------------------------------------------------------------------- K point 13 = 0.031250 0.031250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 182.11 185.15 365.40 384.27 391.31 1027.14 -------------------------------------------------------------------------------- K point 14 = 0.031250 0.031250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 138.87 143.76 272.38 390.73 396.63 1066.90 -------------------------------------------------------------------------------- K point 15 = 0.031250 0.031250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 93.26 98.92 178.82 396.02 399.65 1095.54 -------------------------------------------------------------------------------- K point 16 = 0.031250 0.031250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 50.06 53.26 87.72 399.72 400.56 1112.23 -------------------------------------------------------------------------------- K point 17 = 0.031250 0.093750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 59.00 70.79 118.32 396.85 401.32 1108.36 -------------------------------------------------------------------------------- K point 18 = 0.031250 0.093750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 82.43 84.68 132.74 401.54 402.51 1101.76 -------------------------------------------------------------------------------- K point 19 = 0.031250 0.093750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 113.12 126.64 197.63 398.24 406.17 1083.64 -------------------------------------------------------------------------------- K point 20 = 0.031250 0.093750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 152.09 168.42 279.68 392.08 406.35 1054.78 -------------------------------------------------------------------------------- K point 21 = 0.031250 0.093750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.16 207.58 365.39 385.57 403.64 1015.16 -------------------------------------------------------------------------------- K point 22 = 0.031250 0.093750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 228.63 242.94 377.10 396.72 454.47 965.82 -------------------------------------------------------------------------------- K point 23 = 0.031250 0.093750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.72 273.47 369.83 387.96 539.23 908.74 -------------------------------------------------------------------------------- K point 24 = 0.031250 0.093750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.72 296.50 363.50 377.82 616.73 848.78 -------------------------------------------------------------------------------- K point 25 = 0.031250 0.093750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.83 306.81 358.40 373.16 666.11 806.43 -------------------------------------------------------------------------------- K point 26 = 0.031250 0.093750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.86 301.74 356.01 379.95 638.73 830.24 -------------------------------------------------------------------------------- K point 27 = 0.031250 0.093750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 284.46 360.30 390.44 566.48 888.39 -------------------------------------------------------------------------------- K point 28 = 0.031250 0.093750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 236.17 258.97 367.61 399.38 483.15 947.44 -------------------------------------------------------------------------------- K point 29 = 0.031250 0.093750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 199.51 226.97 375.35 393.22 408.71 999.98 -------------------------------------------------------------------------------- K point 30 = 0.031250 0.093750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 159.07 189.08 308.55 383.19 409.22 1043.46 -------------------------------------------------------------------------------- K point 31 = 0.031250 0.093750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 118.09 145.76 226.14 390.27 408.27 1076.58 -------------------------------------------------------------------------------- K point 32 = 0.031250 0.093750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 83.19 97.39 156.91 396.36 403.28 1098.72 -------------------------------------------------------------------------------- K point 33 = 0.031250 0.156250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 105.44 116.95 210.12 392.54 400.19 1087.46 -------------------------------------------------------------------------------- K point 34 = 0.031250 0.156250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 113.12 126.64 197.63 398.24 406.17 1083.64 -------------------------------------------------------------------------------- K point 35 = 0.031250 0.156250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 146.50 146.94 222.67 408.15 408.98 1066.36 -------------------------------------------------------------------------------- K point 36 = 0.031250 0.156250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 174.39 185.73 277.65 406.13 414.26 1039.83 -------------------------------------------------------------------------------- K point 37 = 0.031250 0.156250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 207.49 225.13 345.84 401.28 415.75 1003.87 -------------------------------------------------------------------------------- K point 38 = 0.031250 0.156250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 239.10 263.02 394.14 410.45 425.77 958.33 -------------------------------------------------------------------------------- K point 39 = 0.031250 0.156250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.35 296.53 390.10 407.60 500.82 904.31 -------------------------------------------------------------------------------- K point 40 = 0.031250 0.156250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.01 322.21 383.97 403.71 576.82 844.75 -------------------------------------------------------------------------------- K point 41 = 0.031250 0.156250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.93 336.86 373.89 405.78 639.20 790.75 -------------------------------------------------------------------------------- K point 42 = 0.031250 0.156250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.05 339.74 363.59 413.08 640.76 788.88 -------------------------------------------------------------------------------- K point 43 = 0.031250 0.156250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 284.48 332.72 359.34 420.87 578.56 842.17 -------------------------------------------------------------------------------- K point 44 = 0.031250 0.156250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.48 316.20 361.63 425.45 501.62 902.87 -------------------------------------------------------------------------------- K point 45 = 0.031250 0.156250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 225.27 289.33 367.22 414.86 434.70 958.97 -------------------------------------------------------------------------------- K point 46 = 0.031250 0.156250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 188.90 249.61 349.12 374.51 424.86 1007.20 -------------------------------------------------------------------------------- K point 47 = 0.031250 0.156250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 153.65 196.64 290.96 382.63 415.38 1045.97 -------------------------------------------------------------------------------- K point 48 = 0.031250 0.156250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 125.99 141.48 244.62 390.84 402.80 1073.76 -------------------------------------------------------------------------------- K point 49 = 0.031250 0.218750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 150.89 160.86 303.58 386.73 396.70 1054.92 -------------------------------------------------------------------------------- K point 50 = 0.031250 0.218750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 152.09 168.42 279.68 392.08 406.35 1054.78 -------------------------------------------------------------------------------- K point 51 = 0.031250 0.218750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 174.39 185.73 277.65 406.13 414.26 1039.83 -------------------------------------------------------------------------------- K point 52 = 0.031250 0.218750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.74 205.59 304.66 417.64 418.11 1015.20 -------------------------------------------------------------------------------- K point 53 = 0.031250 0.218750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 230.31 240.68 349.13 417.34 424.64 982.59 -------------------------------------------------------------------------------- K point 54 = 0.031250 0.218750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.77 280.89 400.52 416.06 428.56 941.44 -------------------------------------------------------------------------------- K point 55 = 0.031250 0.218750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.01 320.07 411.72 426.56 466.20 891.62 -------------------------------------------------------------------------------- K point 56 = 0.031250 0.218750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.42 350.94 405.46 431.96 532.06 834.37 -------------------------------------------------------------------------------- K point 57 = 0.031250 0.218750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.49 371.15 394.12 441.04 597.84 774.78 -------------------------------------------------------------------------------- K point 58 = 0.031250 0.218750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.30 378.50 383.83 450.21 631.26 742.51 -------------------------------------------------------------------------------- K point 59 = 0.031250 0.218750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.31 367.33 386.09 455.50 584.79 784.27 -------------------------------------------------------------------------------- K point 60 = 0.031250 0.218750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.43 361.74 379.50 454.18 514.00 846.70 -------------------------------------------------------------------------------- K point 61 = 0.031250 0.218750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 254.60 355.41 362.38 437.35 457.45 907.12 -------------------------------------------------------------------------------- K point 62 = 0.031250 0.218750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 222.94 303.57 367.14 398.89 437.65 960.73 -------------------------------------------------------------------------------- K point 63 = 0.031250 0.218750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.53 238.87 367.00 375.05 418.44 1005.04 -------------------------------------------------------------------------------- K point 64 = 0.031250 0.218750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 169.23 182.97 335.30 384.17 399.59 1037.54 -------------------------------------------------------------------------------- K point 65 = 0.031250 0.281250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.98 200.81 379.47 389.81 397.36 1011.65 -------------------------------------------------------------------------------- K point 66 = 0.031250 0.281250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.16 207.58 365.39 385.57 403.64 1015.16 -------------------------------------------------------------------------------- K point 67 = 0.031250 0.281250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 207.49 225.13 345.84 401.28 415.75 1003.87 -------------------------------------------------------------------------------- K point 68 = 0.031250 0.281250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 230.31 240.68 349.13 417.34 424.64 982.59 -------------------------------------------------------------------------------- K point 69 = 0.031250 0.281250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.21 257.08 373.99 428.75 428.82 954.39 -------------------------------------------------------------------------------- K point 70 = 0.031250 0.281250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.31 287.77 407.44 430.13 436.23 919.19 -------------------------------------------------------------------------------- K point 71 = 0.031250 0.281250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.16 329.31 429.42 438.52 449.75 875.86 -------------------------------------------------------------------------------- K point 72 = 0.031250 0.281250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.51 369.98 424.84 451.85 492.80 824.01 -------------------------------------------------------------------------------- K point 73 = 0.031250 0.281250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.99 399.60 414.76 465.72 550.31 764.99 -------------------------------------------------------------------------------- K point 74 = 0.031250 0.281250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.70 400.24 418.99 476.65 608.93 707.87 -------------------------------------------------------------------------------- K point 75 = 0.031250 0.281250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.37 383.84 429.46 482.05 598.70 718.08 -------------------------------------------------------------------------------- K point 76 = 0.031250 0.281250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.45 369.80 427.24 480.30 534.76 782.06 -------------------------------------------------------------------------------- K point 77 = 0.031250 0.281250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.95 362.38 398.53 463.02 490.20 847.19 -------------------------------------------------------------------------------- K point 78 = 0.031250 0.281250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.92 337.74 362.12 437.13 472.54 905.88 -------------------------------------------------------------------------------- K point 79 = 0.031250 0.281250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 272.24 367.37 413.45 452.65 954.83 -------------------------------------------------------------------------------- K point 80 = 0.031250 0.281250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 209.32 220.30 376.24 393.01 426.69 991.06 -------------------------------------------------------------------------------- K point 81 = 0.031250 0.343750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 230.28 235.62 370.87 382.30 487.06 959.13 -------------------------------------------------------------------------------- K point 82 = 0.031250 0.343750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 228.63 242.94 377.10 396.72 454.47 965.82 -------------------------------------------------------------------------------- K point 83 = 0.031250 0.343750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 239.10 263.02 394.14 410.45 425.77 958.33 -------------------------------------------------------------------------------- K point 84 = 0.031250 0.343750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.77 280.89 400.52 416.06 428.56 941.44 -------------------------------------------------------------------------------- K point 85 = 0.031250 0.343750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.31 287.77 407.44 430.13 436.23 919.19 -------------------------------------------------------------------------------- K point 86 = 0.031250 0.343750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.87 298.55 427.93 439.53 440.31 892.28 -------------------------------------------------------------------------------- K point 87 = 0.031250 0.343750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.08 324.10 442.31 447.59 450.74 859.00 -------------------------------------------------------------------------------- K point 88 = 0.031250 0.343750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.09 365.59 440.67 461.34 472.81 817.48 -------------------------------------------------------------------------------- K point 89 = 0.031250 0.343750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.25 408.59 433.18 474.69 508.96 767.06 -------------------------------------------------------------------------------- K point 90 = 0.031250 0.343750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.05 420.28 441.62 479.64 567.85 708.92 -------------------------------------------------------------------------------- K point 91 = 0.031250 0.343750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.31 403.33 457.86 481.79 632.08 652.88 -------------------------------------------------------------------------------- K point 92 = 0.031250 0.343750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.55 384.77 445.42 486.69 587.18 713.56 -------------------------------------------------------------------------------- K point 93 = 0.031250 0.343750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.09 368.97 409.88 471.02 555.82 782.90 -------------------------------------------------------------------------------- K point 94 = 0.031250 0.343750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.31 354.94 361.09 439.67 545.51 845.25 -------------------------------------------------------------------------------- K point 95 = 0.031250 0.343750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 262.10 297.49 360.99 408.71 534.11 897.27 -------------------------------------------------------------------------------- K point 96 = 0.031250 0.343750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 244.08 252.52 367.85 384.49 514.67 936.03 -------------------------------------------------------------------------------- K point 97 = 0.031250 0.406250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 261.27 264.19 361.50 371.86 572.70 900.02 -------------------------------------------------------------------------------- K point 98 = 0.031250 0.406250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.72 273.47 369.83 387.96 539.23 908.74 -------------------------------------------------------------------------------- K point 99 = 0.031250 0.406250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.35 296.53 390.10 407.60 500.82 904.31 -------------------------------------------------------------------------------- K point 100 = 0.031250 0.406250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.01 320.07 411.72 426.56 466.20 891.62 -------------------------------------------------------------------------------- K point 101 = 0.031250 0.406250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.16 329.31 429.42 438.52 449.75 875.86 -------------------------------------------------------------------------------- K point 102 = 0.031250 0.406250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.08 324.10 442.31 447.59 450.74 859.00 -------------------------------------------------------------------------------- K point 103 = 0.031250 0.406250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.77 328.06 448.87 450.41 465.15 839.08 -------------------------------------------------------------------------------- K point 104 = 0.031250 0.406250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.17 347.76 451.68 457.85 477.16 812.86 -------------------------------------------------------------------------------- K point 105 = 0.031250 0.406250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.69 387.04 447.40 478.60 484.09 778.43 -------------------------------------------------------------------------------- K point 106 = 0.031250 0.406250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.72 430.01 437.53 479.42 520.86 736.68 -------------------------------------------------------------------------------- K point 107 = 0.031250 0.406250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.45 421.46 458.22 474.10 575.44 693.71 -------------------------------------------------------------------------------- K point 108 = 0.031250 0.406250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.45 402.28 440.90 483.69 617.54 678.40 -------------------------------------------------------------------------------- K point 109 = 0.031250 0.406250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.98 382.02 406.83 469.33 615.90 727.40 -------------------------------------------------------------------------------- K point 110 = 0.031250 0.406250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.01 360.55 366.75 435.46 614.54 786.01 -------------------------------------------------------------------------------- K point 111 = 0.031250 0.406250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.74 314.50 357.64 400.07 610.38 837.08 -------------------------------------------------------------------------------- K point 112 = 0.031250 0.406250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 271.27 278.50 359.65 373.66 596.93 875.93 -------------------------------------------------------------------------------- K point 113 = 0.031250 0.468750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.87 284.46 353.66 360.93 646.00 841.86 -------------------------------------------------------------------------------- K point 114 = 0.031250 0.468750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.72 296.50 363.50 377.82 616.73 848.78 -------------------------------------------------------------------------------- K point 115 = 0.031250 0.468750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.01 322.21 383.97 403.71 576.82 844.75 -------------------------------------------------------------------------------- K point 116 = 0.031250 0.468750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.42 350.94 405.46 431.96 532.06 834.37 -------------------------------------------------------------------------------- K point 117 = 0.031250 0.468750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.51 369.98 424.84 451.85 492.80 824.01 -------------------------------------------------------------------------------- K point 118 = 0.031250 0.468750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.09 365.59 440.67 461.34 472.81 817.48 -------------------------------------------------------------------------------- K point 119 = 0.031250 0.468750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.17 347.76 451.68 457.85 477.16 812.86 -------------------------------------------------------------------------------- K point 120 = 0.031250 0.468750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 340.94 344.57 454.95 457.11 485.42 805.16 -------------------------------------------------------------------------------- K point 121 = 0.031250 0.468750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 346.08 357.98 456.05 463.13 488.26 790.81 -------------------------------------------------------------------------------- K point 122 = 0.031250 0.468750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.81 391.51 448.84 483.35 485.34 769.87 -------------------------------------------------------------------------------- K point 123 = 0.031250 0.468750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.90 422.28 435.87 478.91 516.09 747.39 -------------------------------------------------------------------------------- K point 124 = 0.031250 0.468750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.23 418.00 421.59 476.97 558.42 734.13 -------------------------------------------------------------------------------- K point 125 = 0.031250 0.468750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.05 394.61 398.23 461.12 603.57 740.35 -------------------------------------------------------------------------------- K point 126 = 0.031250 0.468750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.28 358.71 377.34 427.90 639.53 764.09 -------------------------------------------------------------------------------- K point 127 = 0.031250 0.468750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.33 321.62 361.10 391.12 659.17 794.94 -------------------------------------------------------------------------------- K point 128 = 0.031250 0.468750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.70 294.45 354.69 363.55 660.95 823.01 -------------------------------------------------------------------------------- K point 129 = 0.031250 0.531250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 288.57 291.12 353.29 354.73 673.60 818.05 -------------------------------------------------------------------------------- K point 130 = 0.031250 0.531250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.83 306.81 358.40 373.16 666.11 806.43 -------------------------------------------------------------------------------- K point 131 = 0.031250 0.531250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.93 336.86 373.89 405.78 639.20 790.75 -------------------------------------------------------------------------------- K point 132 = 0.031250 0.531250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.49 371.15 394.12 441.04 597.84 774.78 -------------------------------------------------------------------------------- K point 133 = 0.031250 0.531250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.99 399.60 414.76 465.72 550.31 764.99 -------------------------------------------------------------------------------- K point 134 = 0.031250 0.531250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.25 408.59 433.18 474.69 508.96 767.06 -------------------------------------------------------------------------------- K point 135 = 0.031250 0.531250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.69 387.04 447.40 478.60 484.09 778.43 -------------------------------------------------------------------------------- K point 136 = 0.031250 0.531250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 346.08 357.98 456.05 463.13 488.26 790.81 -------------------------------------------------------------------------------- K point 137 = 0.031250 0.531250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.17 347.87 456.26 458.57 489.40 797.96 -------------------------------------------------------------------------------- K point 138 = 0.031250 0.531250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.78 354.57 454.57 461.29 484.59 798.32 -------------------------------------------------------------------------------- K point 139 = 0.031250 0.531250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.45 378.31 444.63 471.00 479.99 794.75 -------------------------------------------------------------------------------- K point 140 = 0.031250 0.531250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.78 390.87 429.50 465.03 501.48 793.33 -------------------------------------------------------------------------------- K point 141 = 0.031250 0.531250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.36 376.06 410.61 449.29 542.26 798.96 -------------------------------------------------------------------------------- K point 142 = 0.031250 0.531250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.09 346.88 389.76 420.55 589.30 809.97 -------------------------------------------------------------------------------- K point 143 = 0.031250 0.531250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 289.35 316.20 369.51 387.85 631.18 819.79 -------------------------------------------------------------------------------- K point 144 = 0.031250 0.531250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.70 294.45 354.69 363.55 660.95 823.01 -------------------------------------------------------------------------------- K point 145 = 0.031250 0.593750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.35 279.40 358.22 362.12 623.97 860.11 -------------------------------------------------------------------------------- K point 146 = 0.031250 0.593750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.86 301.74 356.01 379.95 638.73 830.24 -------------------------------------------------------------------------------- K point 147 = 0.031250 0.593750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.05 339.74 363.59 413.08 640.76 788.88 -------------------------------------------------------------------------------- K point 148 = 0.031250 0.593750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.30 378.50 383.83 450.21 631.26 742.51 -------------------------------------------------------------------------------- K point 149 = 0.031250 0.593750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.70 400.24 418.99 476.65 608.93 707.87 -------------------------------------------------------------------------------- K point 150 = 0.031250 0.593750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.05 420.28 441.62 479.64 567.85 708.92 -------------------------------------------------------------------------------- K point 151 = 0.031250 0.593750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.72 430.01 437.53 479.42 520.86 736.68 -------------------------------------------------------------------------------- K point 152 = 0.031250 0.593750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.81 391.51 448.84 483.35 485.34 769.87 -------------------------------------------------------------------------------- K point 153 = 0.031250 0.593750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.78 354.57 454.57 461.29 484.59 798.32 -------------------------------------------------------------------------------- K point 154 = 0.031250 0.593750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.48 337.96 452.43 454.32 477.37 819.14 -------------------------------------------------------------------------------- K point 155 = 0.031250 0.593750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.26 337.58 447.53 453.19 465.84 833.49 -------------------------------------------------------------------------------- K point 156 = 0.031250 0.593750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.63 349.17 435.63 450.43 462.49 845.04 -------------------------------------------------------------------------------- K point 157 = 0.031250 0.593750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.53 346.27 419.06 438.21 481.31 857.28 -------------------------------------------------------------------------------- K point 158 = 0.031250 0.593750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.35 324.28 398.69 417.37 518.39 869.87 -------------------------------------------------------------------------------- K point 159 = 0.031250 0.593750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 272.47 297.36 376.27 393.44 560.08 878.02 -------------------------------------------------------------------------------- K point 160 = 0.031250 0.593750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 271.27 278.50 359.65 373.66 596.93 875.93 -------------------------------------------------------------------------------- K point 161 = 0.031250 0.656250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 252.75 254.28 366.83 373.49 544.94 920.20 -------------------------------------------------------------------------------- K point 162 = 0.031250 0.656250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 284.46 360.30 390.44 566.48 888.39 -------------------------------------------------------------------------------- K point 163 = 0.031250 0.656250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 284.48 332.72 359.34 420.87 578.56 842.17 -------------------------------------------------------------------------------- K point 164 = 0.031250 0.656250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.31 367.33 386.09 455.50 584.79 784.27 -------------------------------------------------------------------------------- K point 165 = 0.031250 0.656250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.37 383.84 429.46 482.05 598.70 718.08 -------------------------------------------------------------------------------- K point 166 = 0.031250 0.656250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.31 403.33 457.86 481.79 632.08 652.88 -------------------------------------------------------------------------------- K point 167 = 0.031250 0.656250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.45 421.46 458.22 474.10 575.44 693.71 -------------------------------------------------------------------------------- K point 168 = 0.031250 0.656250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.90 422.28 435.87 478.91 516.09 747.39 -------------------------------------------------------------------------------- K point 169 = 0.031250 0.656250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.45 378.31 444.63 471.00 479.99 794.75 -------------------------------------------------------------------------------- K point 170 = 0.031250 0.656250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.26 337.58 447.53 453.19 465.84 833.49 -------------------------------------------------------------------------------- K point 171 = 0.031250 0.656250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.87 314.89 444.49 445.60 448.73 863.89 -------------------------------------------------------------------------------- K point 172 = 0.031250 0.656250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.71 307.43 430.76 436.58 442.17 888.03 -------------------------------------------------------------------------------- K point 173 = 0.031250 0.656250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.81 306.38 420.05 425.35 437.59 908.45 -------------------------------------------------------------------------------- K point 174 = 0.031250 0.656250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 292.00 402.91 417.83 447.39 925.70 -------------------------------------------------------------------------------- K point 175 = 0.031250 0.656250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 247.69 268.84 382.07 401.34 479.39 936.61 -------------------------------------------------------------------------------- K point 176 = 0.031250 0.656250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 244.08 252.52 367.85 384.49 514.67 936.03 -------------------------------------------------------------------------------- K point 177 = 0.031250 0.718750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 221.07 221.83 375.85 383.56 457.27 977.53 -------------------------------------------------------------------------------- K point 178 = 0.031250 0.718750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 236.17 258.97 367.61 399.38 483.15 947.44 -------------------------------------------------------------------------------- K point 179 = 0.031250 0.718750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.48 316.20 361.63 425.45 501.62 902.87 -------------------------------------------------------------------------------- K point 180 = 0.031250 0.718750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.43 361.74 379.50 454.18 514.00 846.70 -------------------------------------------------------------------------------- K point 181 = 0.031250 0.718750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.45 369.80 427.24 480.30 534.76 782.06 -------------------------------------------------------------------------------- K point 182 = 0.031250 0.718750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.55 384.77 445.42 486.69 587.18 713.56 -------------------------------------------------------------------------------- K point 183 = 0.031250 0.718750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.45 402.28 440.90 483.69 617.54 678.40 -------------------------------------------------------------------------------- K point 184 = 0.031250 0.718750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.23 418.00 421.59 476.97 558.42 734.13 -------------------------------------------------------------------------------- K point 185 = 0.031250 0.718750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.78 390.87 429.50 465.03 501.48 793.33 -------------------------------------------------------------------------------- K point 186 = 0.031250 0.718750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.63 349.17 435.63 450.43 462.49 845.04 -------------------------------------------------------------------------------- K point 187 = 0.031250 0.718750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.71 307.43 430.76 436.58 442.17 888.03 -------------------------------------------------------------------------------- K point 188 = 0.031250 0.718750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.90 279.21 403.00 434.21 434.62 922.89 -------------------------------------------------------------------------------- K point 189 = 0.031250 0.718750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.09 265.41 380.12 423.64 430.35 951.12 -------------------------------------------------------------------------------- K point 190 = 0.031250 0.718750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 233.24 253.54 375.05 408.20 421.60 973.62 -------------------------------------------------------------------------------- K point 191 = 0.031250 0.718750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 216.19 234.45 385.82 396.72 409.60 988.48 -------------------------------------------------------------------------------- K point 192 = 0.031250 0.718750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 209.32 220.30 376.24 393.01 426.69 991.06 -------------------------------------------------------------------------------- K point 193 = 0.031250 0.781250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 182.11 185.15 365.40 384.27 391.31 1027.14 -------------------------------------------------------------------------------- K point 194 = 0.031250 0.781250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 199.51 226.97 375.35 393.22 408.71 999.98 -------------------------------------------------------------------------------- K point 195 = 0.031250 0.781250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 225.27 289.33 367.22 414.86 434.70 958.97 -------------------------------------------------------------------------------- K point 196 = 0.031250 0.781250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 254.60 355.41 362.38 437.35 457.45 907.12 -------------------------------------------------------------------------------- K point 197 = 0.031250 0.781250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.95 362.38 398.53 463.02 490.20 847.19 -------------------------------------------------------------------------------- K point 198 = 0.031250 0.781250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.09 368.97 409.88 471.02 555.82 782.90 -------------------------------------------------------------------------------- K point 199 = 0.031250 0.781250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.98 382.02 406.83 469.33 615.90 727.40 -------------------------------------------------------------------------------- K point 200 = 0.031250 0.781250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.05 394.61 398.23 461.12 603.57 740.35 -------------------------------------------------------------------------------- K point 201 = 0.031250 0.781250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.36 376.06 410.61 449.29 542.26 798.96 -------------------------------------------------------------------------------- K point 202 = 0.031250 0.781250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.53 346.27 419.06 438.21 481.31 857.28 -------------------------------------------------------------------------------- K point 203 = 0.031250 0.781250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.81 306.38 420.05 425.35 437.59 908.45 -------------------------------------------------------------------------------- K point 204 = 0.031250 0.781250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.09 265.41 380.12 423.64 430.35 951.12 -------------------------------------------------------------------------------- K point 205 = 0.031250 0.781250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 231.05 232.44 341.11 423.10 423.32 985.53 -------------------------------------------------------------------------------- K point 206 = 0.031250 0.781250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 203.29 213.98 314.81 411.44 419.24 1012.48 -------------------------------------------------------------------------------- K point 207 = 0.031250 0.781250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 180.03 196.53 313.76 395.75 410.68 1031.21 -------------------------------------------------------------------------------- K point 208 = 0.031250 0.781250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 169.23 182.97 335.30 384.17 399.59 1037.54 -------------------------------------------------------------------------------- K point 209 = 0.031250 0.843750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 138.87 143.76 272.38 390.73 396.63 1066.90 -------------------------------------------------------------------------------- K point 210 = 0.031250 0.843750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 159.07 189.08 308.55 383.19 409.22 1043.46 -------------------------------------------------------------------------------- K point 211 = 0.031250 0.843750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 188.90 249.61 349.12 374.51 424.86 1007.20 -------------------------------------------------------------------------------- K point 212 = 0.031250 0.843750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 222.94 303.57 367.14 398.89 437.65 960.73 -------------------------------------------------------------------------------- K point 213 = 0.031250 0.843750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.92 337.74 362.12 437.13 472.54 905.88 -------------------------------------------------------------------------------- K point 214 = 0.031250 0.843750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.31 354.94 361.09 439.67 545.51 845.25 -------------------------------------------------------------------------------- K point 215 = 0.031250 0.843750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.01 360.55 366.75 435.46 614.54 786.01 -------------------------------------------------------------------------------- K point 216 = 0.031250 0.843750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.28 358.71 377.34 427.90 639.53 764.09 -------------------------------------------------------------------------------- K point 217 = 0.031250 0.843750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.09 346.88 389.76 420.55 589.30 809.97 -------------------------------------------------------------------------------- K point 218 = 0.031250 0.843750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.35 324.28 398.69 417.37 518.39 869.87 -------------------------------------------------------------------------------- K point 219 = 0.031250 0.843750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 292.00 402.91 417.83 447.39 925.70 -------------------------------------------------------------------------------- K point 220 = 0.031250 0.843750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 233.24 253.54 375.05 408.20 421.60 973.62 -------------------------------------------------------------------------------- K point 221 = 0.031250 0.843750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 203.29 213.98 314.81 411.44 419.24 1012.48 -------------------------------------------------------------------------------- K point 222 = 0.031250 0.843750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 176.59 176.84 265.02 412.61 413.28 1042.42 -------------------------------------------------------------------------------- K point 223 = 0.031250 0.843750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 144.08 156.41 238.30 401.64 409.87 1063.79 -------------------------------------------------------------------------------- K point 224 = 0.031250 0.843750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 125.99 141.48 244.62 390.84 402.80 1073.76 -------------------------------------------------------------------------------- K point 225 = 0.031250 0.906250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 93.26 98.92 178.82 396.02 399.65 1095.54 -------------------------------------------------------------------------------- K point 226 = 0.031250 0.906250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 118.09 145.76 226.14 390.27 408.27 1076.58 -------------------------------------------------------------------------------- K point 227 = 0.031250 0.906250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 153.65 196.64 290.96 382.63 415.38 1045.97 -------------------------------------------------------------------------------- K point 228 = 0.031250 0.906250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.53 238.87 367.00 375.05 418.44 1005.04 -------------------------------------------------------------------------------- K point 229 = 0.031250 0.906250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 272.24 367.37 413.45 452.65 954.83 -------------------------------------------------------------------------------- K point 230 = 0.031250 0.906250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 262.10 297.49 360.99 408.71 534.11 897.27 -------------------------------------------------------------------------------- K point 231 = 0.031250 0.906250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.74 314.50 357.64 400.07 610.38 837.08 -------------------------------------------------------------------------------- K point 232 = 0.031250 0.906250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.33 321.62 361.10 391.12 659.17 794.94 -------------------------------------------------------------------------------- K point 233 = 0.031250 0.906250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 289.35 316.20 369.51 387.85 631.18 819.79 -------------------------------------------------------------------------------- K point 234 = 0.031250 0.906250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 272.47 297.36 376.27 393.44 560.08 878.02 -------------------------------------------------------------------------------- K point 235 = 0.031250 0.906250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 247.69 268.84 382.07 401.34 479.39 936.61 -------------------------------------------------------------------------------- K point 236 = 0.031250 0.906250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 216.19 234.45 385.82 396.72 409.60 988.48 -------------------------------------------------------------------------------- K point 237 = 0.031250 0.906250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 180.03 196.53 313.76 395.75 410.68 1031.21 -------------------------------------------------------------------------------- K point 238 = 0.031250 0.906250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 144.08 156.41 238.30 401.64 409.87 1063.79 -------------------------------------------------------------------------------- K point 239 = 0.031250 0.906250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 114.91 116.16 178.28 404.41 405.35 1086.33 -------------------------------------------------------------------------------- K point 240 = 0.031250 0.906250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 83.19 97.39 156.91 396.36 403.28 1098.72 -------------------------------------------------------------------------------- K point 241 = 0.031250 0.968750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 50.06 53.26 87.72 399.72 400.56 1112.23 -------------------------------------------------------------------------------- K point 242 = 0.031250 0.968750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 83.19 97.39 156.91 396.36 403.28 1098.72 -------------------------------------------------------------------------------- K point 243 = 0.031250 0.968750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 125.99 141.48 244.62 390.84 402.80 1073.76 -------------------------------------------------------------------------------- K point 244 = 0.031250 0.968750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 169.23 182.97 335.30 384.17 399.59 1037.54 -------------------------------------------------------------------------------- K point 245 = 0.031250 0.968750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 209.32 220.30 376.24 393.01 426.69 991.06 -------------------------------------------------------------------------------- K point 246 = 0.031250 0.968750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 244.08 252.52 367.85 384.49 514.67 936.03 -------------------------------------------------------------------------------- K point 247 = 0.031250 0.968750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 271.27 278.50 359.65 373.66 596.93 875.93 -------------------------------------------------------------------------------- K point 248 = 0.031250 0.968750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.70 294.45 354.69 363.55 660.95 823.01 -------------------------------------------------------------------------------- K point 249 = 0.031250 0.968750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.70 294.45 354.69 363.55 660.95 823.01 -------------------------------------------------------------------------------- K point 250 = 0.031250 0.968750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 271.27 278.50 359.65 373.66 596.93 875.93 -------------------------------------------------------------------------------- K point 251 = 0.031250 0.968750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 244.08 252.52 367.85 384.49 514.67 936.03 -------------------------------------------------------------------------------- K point 252 = 0.031250 0.968750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 209.32 220.30 376.24 393.01 426.69 991.06 -------------------------------------------------------------------------------- K point 253 = 0.031250 0.968750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 169.23 182.97 335.30 384.17 399.59 1037.54 -------------------------------------------------------------------------------- K point 254 = 0.031250 0.968750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 125.99 141.48 244.62 390.84 402.80 1073.76 -------------------------------------------------------------------------------- K point 255 = 0.031250 0.968750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 83.19 97.39 156.91 396.36 403.28 1098.72 -------------------------------------------------------------------------------- K point 256 = 0.031250 0.968750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 50.06 53.26 87.72 399.72 400.56 1112.23 -------------------------------------------------------------------------------- K point 257 = 0.093750 0.031250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 59.00 70.79 118.32 396.85 401.32 1108.36 -------------------------------------------------------------------------------- K point 258 = 0.093750 0.031250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 82.43 84.68 132.74 401.54 402.51 1101.76 -------------------------------------------------------------------------------- K point 259 = 0.093750 0.031250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 113.12 126.64 197.63 398.24 406.17 1083.64 -------------------------------------------------------------------------------- K point 260 = 0.093750 0.031250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 152.09 168.42 279.68 392.08 406.35 1054.78 -------------------------------------------------------------------------------- K point 261 = 0.093750 0.031250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.16 207.58 365.39 385.57 403.64 1015.16 -------------------------------------------------------------------------------- K point 262 = 0.093750 0.031250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 228.63 242.94 377.10 396.72 454.47 965.82 -------------------------------------------------------------------------------- K point 263 = 0.093750 0.031250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.72 273.47 369.83 387.96 539.23 908.74 -------------------------------------------------------------------------------- K point 264 = 0.093750 0.031250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.72 296.50 363.50 377.82 616.73 848.78 -------------------------------------------------------------------------------- K point 265 = 0.093750 0.031250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.83 306.81 358.40 373.16 666.11 806.43 -------------------------------------------------------------------------------- K point 266 = 0.093750 0.031250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.86 301.74 356.01 379.95 638.73 830.24 -------------------------------------------------------------------------------- K point 267 = 0.093750 0.031250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 284.46 360.30 390.44 566.48 888.39 -------------------------------------------------------------------------------- K point 268 = 0.093750 0.031250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 236.17 258.97 367.61 399.38 483.15 947.44 -------------------------------------------------------------------------------- K point 269 = 0.093750 0.031250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 199.51 226.97 375.35 393.22 408.71 999.98 -------------------------------------------------------------------------------- K point 270 = 0.093750 0.031250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 159.07 189.08 308.55 383.19 409.22 1043.46 -------------------------------------------------------------------------------- K point 271 = 0.093750 0.031250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 118.09 145.76 226.14 390.27 408.27 1076.58 -------------------------------------------------------------------------------- K point 272 = 0.093750 0.031250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 83.19 97.39 156.91 396.36 403.28 1098.72 -------------------------------------------------------------------------------- K point 273 = 0.093750 0.093750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 82.43 84.68 132.74 401.54 402.51 1101.76 -------------------------------------------------------------------------------- K point 274 = 0.093750 0.093750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 74.87 74.87 143.98 397.79 397.79 1104.67 -------------------------------------------------------------------------------- K point 275 = 0.093750 0.093750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 95.63 119.40 190.06 391.70 405.31 1090.53 -------------------------------------------------------------------------------- K point 276 = 0.093750 0.093750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 132.46 169.91 258.13 384.68 411.37 1064.02 -------------------------------------------------------------------------------- K point 277 = 0.093750 0.093750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 173.21 213.06 338.33 377.12 413.27 1026.80 -------------------------------------------------------------------------------- K point 278 = 0.093750 0.093750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 212.68 248.81 369.34 407.19 427.14 979.75 -------------------------------------------------------------------------------- K point 279 = 0.093750 0.093750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 247.95 277.38 361.81 403.45 510.00 924.43 -------------------------------------------------------------------------------- K point 280 = 0.093750 0.093750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.02 298.48 355.89 394.37 590.51 864.23 -------------------------------------------------------------------------------- K point 281 = 0.093750 0.093750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.58 310.73 355.58 383.89 653.84 811.28 -------------------------------------------------------------------------------- K point 282 = 0.093750 0.093750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.04 310.43 364.39 376.55 653.38 811.85 -------------------------------------------------------------------------------- K point 283 = 0.093750 0.093750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 275.63 294.76 376.14 377.33 589.97 865.02 -------------------------------------------------------------------------------- K point 284 = 0.093750 0.093750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 253.19 267.15 380.36 389.11 509.76 924.83 -------------------------------------------------------------------------------- K point 285 = 0.093750 0.093750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 224.64 231.91 385.83 397.94 425.40 979.40 -------------------------------------------------------------------------------- K point 286 = 0.093750 0.093750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 191.06 192.11 337.91 394.19 403.46 1025.37 -------------------------------------------------------------------------------- K point 287 = 0.093750 0.093750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 151.34 153.93 254.51 400.24 405.81 1061.17 -------------------------------------------------------------------------------- K point 288 = 0.093750 0.093750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 114.91 116.16 178.28 404.41 405.35 1086.33 -------------------------------------------------------------------------------- K point 289 = 0.093750 0.156250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 113.12 126.64 197.63 398.24 406.17 1083.64 -------------------------------------------------------------------------------- K point 290 = 0.093750 0.156250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 95.63 119.40 190.06 391.70 405.31 1090.53 -------------------------------------------------------------------------------- K point 291 = 0.093750 0.156250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 120.61 126.03 216.49 397.06 402.35 1080.84 -------------------------------------------------------------------------------- K point 292 = 0.093750 0.156250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 145.28 173.88 262.72 391.73 412.09 1057.39 -------------------------------------------------------------------------------- K point 293 = 0.093750 0.156250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 178.57 224.28 323.07 383.90 420.19 1023.03 -------------------------------------------------------------------------------- K point 294 = 0.093750 0.156250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 214.79 265.39 376.02 394.01 425.06 978.80 -------------------------------------------------------------------------------- K point 295 = 0.093750 0.156250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 248.79 296.44 369.81 419.74 476.48 925.89 -------------------------------------------------------------------------------- K point 296 = 0.093750 0.156250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.83 318.43 365.38 415.41 554.84 866.66 -------------------------------------------------------------------------------- K point 297 = 0.093750 0.156250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.00 331.03 364.88 408.47 625.15 808.19 -------------------------------------------------------------------------------- K point 298 = 0.093750 0.156250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.39 333.50 368.51 403.55 652.22 784.25 -------------------------------------------------------------------------------- K point 299 = 0.093750 0.156250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.03 325.27 372.18 405.36 603.08 827.49 -------------------------------------------------------------------------------- K point 300 = 0.093750 0.156250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 270.15 306.01 376.23 411.03 528.58 887.52 -------------------------------------------------------------------------------- K point 301 = 0.093750 0.156250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 242.23 278.21 381.49 414.84 450.45 944.42 -------------------------------------------------------------------------------- K point 302 = 0.093750 0.156250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 208.83 243.46 368.90 388.87 419.45 993.72 -------------------------------------------------------------------------------- K point 303 = 0.093750 0.156250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 173.97 202.29 298.37 395.34 416.65 1033.72 -------------------------------------------------------------------------------- K point 304 = 0.093750 0.156250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 144.08 156.41 238.30 401.64 409.87 1063.79 -------------------------------------------------------------------------------- K point 305 = 0.093750 0.218750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 152.09 168.42 279.68 392.08 406.35 1054.78 -------------------------------------------------------------------------------- K point 306 = 0.093750 0.218750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 132.46 169.91 258.13 384.68 411.37 1064.02 -------------------------------------------------------------------------------- K point 307 = 0.093750 0.218750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 145.28 173.88 262.72 391.73 412.09 1057.39 -------------------------------------------------------------------------------- K point 308 = 0.093750 0.218750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 181.50 182.73 291.48 405.00 409.92 1037.25 -------------------------------------------------------------------------------- K point 309 = 0.093750 0.218750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 202.46 230.08 332.13 400.55 421.83 1006.38 -------------------------------------------------------------------------------- K point 310 = 0.093750 0.218750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 231.34 278.06 380.81 394.49 431.86 965.85 -------------------------------------------------------------------------------- K point 311 = 0.093750 0.218750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 261.17 317.03 388.78 429.63 449.55 916.37 -------------------------------------------------------------------------------- K point 312 = 0.093750 0.218750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.51 343.74 386.24 435.25 514.74 859.38 -------------------------------------------------------------------------------- K point 313 = 0.093750 0.218750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.02 359.07 385.35 435.54 584.79 798.82 -------------------------------------------------------------------------------- K point 314 = 0.093750 0.218750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.56 364.90 383.96 436.75 634.29 753.53 -------------------------------------------------------------------------------- K point 315 = 0.093750 0.218750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 364.48 379.96 439.48 607.40 777.98 -------------------------------------------------------------------------------- K point 316 = 0.093750 0.218750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.66 357.52 376.00 441.16 539.57 837.47 -------------------------------------------------------------------------------- K point 317 = 0.093750 0.218750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 338.41 376.53 437.74 469.94 897.32 -------------------------------------------------------------------------------- K point 318 = 0.093750 0.218750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 235.96 303.04 380.68 401.18 437.90 950.93 -------------------------------------------------------------------------------- K point 319 = 0.093750 0.218750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.95 251.71 353.35 387.95 425.72 996.03 -------------------------------------------------------------------------------- K point 320 = 0.093750 0.218750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 180.03 196.53 313.76 395.75 410.68 1031.21 -------------------------------------------------------------------------------- K point 321 = 0.093750 0.281250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.16 207.58 365.39 385.57 403.64 1015.16 -------------------------------------------------------------------------------- K point 322 = 0.093750 0.281250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 173.21 213.06 338.33 377.12 413.27 1026.80 -------------------------------------------------------------------------------- K point 323 = 0.093750 0.281250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 178.57 224.28 323.07 383.90 420.19 1023.03 -------------------------------------------------------------------------------- K point 324 = 0.093750 0.281250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 202.46 230.08 332.13 400.55 421.83 1006.38 -------------------------------------------------------------------------------- K point 325 = 0.093750 0.281250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 233.11 242.67 358.68 417.87 419.54 979.75 -------------------------------------------------------------------------------- K point 326 = 0.093750 0.281250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.26 281.25 391.18 414.36 433.55 944.30 -------------------------------------------------------------------------------- K point 327 = 0.093750 0.281250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.41 324.89 410.74 427.62 445.79 900.10 -------------------------------------------------------------------------------- K point 328 = 0.093750 0.281250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.64 362.08 410.38 448.57 480.04 847.54 -------------------------------------------------------------------------------- K point 329 = 0.093750 0.281250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 317.86 385.86 409.32 456.59 539.50 788.29 -------------------------------------------------------------------------------- K point 330 = 0.093750 0.281250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.83 398.03 405.48 464.15 600.68 729.66 -------------------------------------------------------------------------------- K point 331 = 0.093750 0.281250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.17 392.36 409.13 469.63 609.60 720.54 -------------------------------------------------------------------------------- K point 332 = 0.093750 0.281250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 312.22 382.77 409.47 470.19 549.35 777.26 -------------------------------------------------------------------------------- K point 333 = 0.093750 0.281250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.06 376.99 395.94 462.27 486.87 840.56 -------------------------------------------------------------------------------- K point 334 = 0.093750 0.281250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.62 353.18 376.59 437.81 456.45 898.87 -------------------------------------------------------------------------------- K point 335 = 0.093750 0.281250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 238.12 291.71 380.96 415.65 434.66 948.93 -------------------------------------------------------------------------------- K point 336 = 0.093750 0.281250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 216.19 234.45 385.82 396.72 409.60 988.48 -------------------------------------------------------------------------------- K point 337 = 0.093750 0.343750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 228.63 242.94 377.10 396.72 454.47 965.82 -------------------------------------------------------------------------------- K point 338 = 0.093750 0.343750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 212.68 248.81 369.34 407.19 427.14 979.75 -------------------------------------------------------------------------------- K point 339 = 0.093750 0.343750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 214.79 265.39 376.02 394.01 425.06 978.80 -------------------------------------------------------------------------------- K point 340 = 0.093750 0.343750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 231.34 278.06 380.81 394.49 431.86 965.85 -------------------------------------------------------------------------------- K point 341 = 0.093750 0.343750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.26 281.25 391.18 414.36 433.55 944.30 -------------------------------------------------------------------------------- K point 342 = 0.093750 0.343750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.07 294.53 412.98 430.02 433.90 915.66 -------------------------------------------------------------------------------- K point 343 = 0.093750 0.343750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.89 323.30 429.72 437.06 446.43 879.55 -------------------------------------------------------------------------------- K point 344 = 0.093750 0.343750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.41 360.67 432.01 456.46 462.77 835.17 -------------------------------------------------------------------------------- K point 345 = 0.093750 0.343750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.94 397.51 432.42 467.03 500.12 782.47 -------------------------------------------------------------------------------- K point 346 = 0.093750 0.343750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.03 423.81 426.26 475.44 557.28 723.04 -------------------------------------------------------------------------------- K point 347 = 0.093750 0.343750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.78 413.73 440.55 480.76 614.10 669.72 -------------------------------------------------------------------------------- K point 348 = 0.093750 0.343750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 398.23 443.62 483.80 579.07 709.95 -------------------------------------------------------------------------------- K point 349 = 0.093750 0.343750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.12 384.21 425.13 478.35 528.77 777.02 -------------------------------------------------------------------------------- K point 350 = 0.093750 0.343750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.96 374.95 380.60 454.29 509.27 839.65 -------------------------------------------------------------------------------- K point 351 = 0.093750 0.343750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.09 320.55 376.37 426.87 497.33 893.76 -------------------------------------------------------------------------------- K point 352 = 0.093750 0.343750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 247.69 268.84 382.07 401.34 479.39 936.61 -------------------------------------------------------------------------------- K point 353 = 0.093750 0.406250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.72 273.47 369.83 387.96 539.23 908.74 -------------------------------------------------------------------------------- K point 354 = 0.093750 0.406250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 247.95 277.38 361.81 403.45 510.00 924.43 -------------------------------------------------------------------------------- K point 355 = 0.093750 0.406250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 248.79 296.44 369.81 419.74 476.48 925.89 -------------------------------------------------------------------------------- K point 356 = 0.093750 0.406250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 261.17 317.03 388.78 429.63 449.55 916.37 -------------------------------------------------------------------------------- K point 357 = 0.093750 0.406250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.41 324.89 410.74 427.62 445.79 900.10 -------------------------------------------------------------------------------- K point 358 = 0.093750 0.406250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.89 323.30 429.72 437.06 446.43 879.55 -------------------------------------------------------------------------------- K point 359 = 0.093750 0.406250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.76 334.80 439.96 448.41 454.76 854.31 -------------------------------------------------------------------------------- K point 360 = 0.093750 0.406250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 330.46 353.50 445.47 458.19 467.46 822.51 -------------------------------------------------------------------------------- K point 361 = 0.093750 0.406250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.91 383.61 451.08 472.21 477.86 782.76 -------------------------------------------------------------------------------- K point 362 = 0.093750 0.406250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 352.12 421.89 446.97 476.87 514.76 735.17 -------------------------------------------------------------------------------- K point 363 = 0.093750 0.406250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.25 432.88 456.47 471.57 574.08 682.23 -------------------------------------------------------------------------------- K point 364 = 0.093750 0.406250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.17 415.82 456.13 478.48 625.87 646.90 -------------------------------------------------------------------------------- K point 365 = 0.093750 0.406250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.50 396.42 428.99 480.04 591.39 713.25 -------------------------------------------------------------------------------- K point 366 = 0.093750 0.406250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.38 378.67 389.86 456.72 577.87 777.56 -------------------------------------------------------------------------------- K point 367 = 0.093750 0.406250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.01 339.13 374.21 424.13 571.79 833.50 -------------------------------------------------------------------------------- K point 368 = 0.093750 0.406250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 272.47 297.36 376.27 393.44 560.08 878.02 -------------------------------------------------------------------------------- K point 369 = 0.093750 0.468750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.72 296.50 363.50 377.82 616.73 848.78 -------------------------------------------------------------------------------- K point 370 = 0.093750 0.468750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.02 298.48 355.89 394.37 590.51 864.23 -------------------------------------------------------------------------------- K point 371 = 0.093750 0.468750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.83 318.43 365.38 415.41 554.84 866.66 -------------------------------------------------------------------------------- K point 372 = 0.093750 0.468750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.51 343.74 386.24 435.25 514.74 859.38 -------------------------------------------------------------------------------- K point 373 = 0.093750 0.468750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.64 362.08 410.38 448.57 480.04 847.54 -------------------------------------------------------------------------------- K point 374 = 0.093750 0.468750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.41 360.67 432.01 456.46 462.77 835.17 -------------------------------------------------------------------------------- K point 375 = 0.093750 0.468750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 330.46 353.50 445.47 458.19 467.46 822.51 -------------------------------------------------------------------------------- K point 376 = 0.093750 0.468750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.57 361.28 447.66 464.35 477.48 806.73 -------------------------------------------------------------------------------- K point 377 = 0.093750 0.468750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.37 370.57 455.61 468.03 483.01 784.93 -------------------------------------------------------------------------------- K point 378 = 0.093750 0.468750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.29 393.57 460.79 481.40 482.90 756.38 -------------------------------------------------------------------------------- K point 379 = 0.093750 0.468750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.79 427.75 450.50 477.23 519.25 724.05 -------------------------------------------------------------------------------- K point 380 = 0.093750 0.468750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.18 430.51 441.82 476.72 566.75 697.62 -------------------------------------------------------------------------------- K point 381 = 0.093750 0.468750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.99 409.25 421.10 475.77 606.39 697.85 -------------------------------------------------------------------------------- K point 382 = 0.093750 0.468750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.16 382.38 392.96 454.15 625.79 733.48 -------------------------------------------------------------------------------- K point 383 = 0.093750 0.468750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.70 347.56 374.71 420.73 633.64 779.44 -------------------------------------------------------------------------------- K point 384 = 0.093750 0.468750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 289.35 316.20 369.51 387.85 631.18 819.79 -------------------------------------------------------------------------------- K point 385 = 0.093750 0.531250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.83 306.81 358.40 373.16 666.11 806.43 -------------------------------------------------------------------------------- K point 386 = 0.093750 0.531250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.58 310.73 355.58 383.89 653.84 811.28 -------------------------------------------------------------------------------- K point 387 = 0.093750 0.531250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.00 331.03 364.88 408.47 625.15 808.19 -------------------------------------------------------------------------------- K point 388 = 0.093750 0.531250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.02 359.07 385.35 435.54 584.79 798.82 -------------------------------------------------------------------------------- K point 389 = 0.093750 0.531250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 317.86 385.86 409.32 456.59 539.50 788.29 -------------------------------------------------------------------------------- K point 390 = 0.093750 0.531250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.94 397.51 432.42 467.03 500.12 782.47 -------------------------------------------------------------------------------- K point 391 = 0.093750 0.531250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.91 383.61 451.08 472.21 477.86 782.76 -------------------------------------------------------------------------------- K point 392 = 0.093750 0.531250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.37 370.57 455.61 468.03 483.01 784.93 -------------------------------------------------------------------------------- K point 393 = 0.093750 0.531250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.93 372.86 451.38 472.15 487.13 783.74 -------------------------------------------------------------------------------- K point 394 = 0.093750 0.531250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.97 374.02 457.73 470.39 485.99 776.77 -------------------------------------------------------------------------------- K point 395 = 0.093750 0.531250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.12 390.22 457.46 477.86 481.59 765.50 -------------------------------------------------------------------------------- K point 396 = 0.093750 0.531250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.79 411.36 440.82 473.82 507.83 755.50 -------------------------------------------------------------------------------- K point 397 = 0.093750 0.531250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.87 405.33 418.87 467.75 548.46 754.12 -------------------------------------------------------------------------------- K point 398 = 0.093750 0.531250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.41 378.71 396.08 449.55 594.12 763.78 -------------------------------------------------------------------------------- K point 399 = 0.093750 0.531250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.70 347.56 374.71 420.73 633.64 779.44 -------------------------------------------------------------------------------- K point 400 = 0.093750 0.531250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.33 321.62 361.10 391.12 659.17 794.94 -------------------------------------------------------------------------------- K point 401 = 0.093750 0.593750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.86 301.74 356.01 379.95 638.73 830.24 -------------------------------------------------------------------------------- K point 402 = 0.093750 0.593750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.04 310.43 364.39 376.55 653.38 811.85 -------------------------------------------------------------------------------- K point 403 = 0.093750 0.593750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.39 333.50 368.51 403.55 652.22 784.25 -------------------------------------------------------------------------------- K point 404 = 0.093750 0.593750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.56 364.90 383.96 436.75 634.29 753.53 -------------------------------------------------------------------------------- K point 405 = 0.093750 0.593750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.83 398.03 405.48 464.15 600.68 729.66 -------------------------------------------------------------------------------- K point 406 = 0.093750 0.593750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.03 423.81 426.26 475.44 557.28 723.04 -------------------------------------------------------------------------------- K point 407 = 0.093750 0.593750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 352.12 421.89 446.97 476.87 514.76 735.17 -------------------------------------------------------------------------------- K point 408 = 0.093750 0.593750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.29 393.57 460.79 481.40 482.90 756.38 -------------------------------------------------------------------------------- K point 409 = 0.093750 0.593750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.97 374.02 457.73 470.39 485.99 776.77 -------------------------------------------------------------------------------- K point 410 = 0.093750 0.593750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.81 368.98 450.11 469.44 483.95 791.60 -------------------------------------------------------------------------------- K point 411 = 0.093750 0.593750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.18 363.72 451.44 463.75 476.89 800.56 -------------------------------------------------------------------------------- K point 412 = 0.093750 0.593750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.90 373.76 442.29 465.11 471.48 806.57 -------------------------------------------------------------------------------- K point 413 = 0.093750 0.593750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 319.78 381.04 422.00 458.00 491.26 813.78 -------------------------------------------------------------------------------- K point 414 = 0.093750 0.593750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.27 365.48 397.91 445.21 528.65 823.83 -------------------------------------------------------------------------------- K point 415 = 0.093750 0.593750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.01 339.13 374.21 424.13 571.79 833.50 -------------------------------------------------------------------------------- K point 416 = 0.093750 0.593750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.74 314.50 357.64 400.07 610.38 837.08 -------------------------------------------------------------------------------- K point 417 = 0.093750 0.656250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 284.46 360.30 390.44 566.48 888.39 -------------------------------------------------------------------------------- K point 418 = 0.093750 0.656250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 275.63 294.76 376.14 377.33 589.97 865.02 -------------------------------------------------------------------------------- K point 419 = 0.093750 0.656250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.03 325.27 372.18 405.36 603.08 827.49 -------------------------------------------------------------------------------- K point 420 = 0.093750 0.656250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 364.48 379.96 439.48 607.40 777.98 -------------------------------------------------------------------------------- K point 421 = 0.093750 0.656250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.17 392.36 409.13 469.63 609.60 720.54 -------------------------------------------------------------------------------- K point 422 = 0.093750 0.656250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.78 413.73 440.55 480.76 614.10 669.72 -------------------------------------------------------------------------------- K point 423 = 0.093750 0.656250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.25 432.88 456.47 471.57 574.08 682.23 -------------------------------------------------------------------------------- K point 424 = 0.093750 0.656250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.79 427.75 450.50 477.23 519.25 724.05 -------------------------------------------------------------------------------- K point 425 = 0.093750 0.656250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.12 390.22 457.46 477.86 481.59 765.50 -------------------------------------------------------------------------------- K point 426 = 0.093750 0.656250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.18 363.72 451.44 463.75 476.89 800.56 -------------------------------------------------------------------------------- K point 427 = 0.093750 0.656250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.20 349.85 444.20 457.33 467.61 828.08 -------------------------------------------------------------------------------- K point 428 = 0.093750 0.656250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.30 339.99 438.10 451.35 455.10 849.34 -------------------------------------------------------------------------------- K point 429 = 0.093750 0.656250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.79 344.33 421.24 444.36 453.73 866.86 -------------------------------------------------------------------------------- K point 430 = 0.093750 0.656250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.92 340.66 398.88 439.39 465.91 882.18 -------------------------------------------------------------------------------- K point 431 = 0.093750 0.656250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.09 320.55 376.37 426.87 497.33 893.76 -------------------------------------------------------------------------------- K point 432 = 0.093750 0.656250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 262.10 297.49 360.99 408.71 534.11 897.27 -------------------------------------------------------------------------------- K point 433 = 0.093750 0.718750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 236.17 258.97 367.61 399.38 483.15 947.44 -------------------------------------------------------------------------------- K point 434 = 0.093750 0.718750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 253.19 267.15 380.36 389.11 509.76 924.83 -------------------------------------------------------------------------------- K point 435 = 0.093750 0.718750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 270.15 306.01 376.23 411.03 528.58 887.52 -------------------------------------------------------------------------------- K point 436 = 0.093750 0.718750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.66 357.52 376.00 441.16 539.57 837.47 -------------------------------------------------------------------------------- K point 437 = 0.093750 0.718750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 312.22 382.77 409.47 470.19 549.35 777.26 -------------------------------------------------------------------------------- K point 438 = 0.093750 0.718750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 398.23 443.62 483.80 579.07 709.95 -------------------------------------------------------------------------------- K point 439 = 0.093750 0.718750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.17 415.82 456.13 478.48 625.87 646.90 -------------------------------------------------------------------------------- K point 440 = 0.093750 0.718750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.18 430.51 441.82 476.72 566.75 697.62 -------------------------------------------------------------------------------- K point 441 = 0.093750 0.718750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.79 411.36 440.82 473.82 507.83 755.50 -------------------------------------------------------------------------------- K point 442 = 0.093750 0.718750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.90 373.76 442.29 465.11 471.48 806.57 -------------------------------------------------------------------------------- K point 443 = 0.093750 0.718750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.30 339.99 438.10 451.35 455.10 849.34 -------------------------------------------------------------------------------- K point 444 = 0.093750 0.718750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.32 316.28 434.00 435.16 443.01 883.98 -------------------------------------------------------------------------------- K point 445 = 0.093750 0.718750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.43 303.62 415.24 422.71 439.87 911.65 -------------------------------------------------------------------------------- K point 446 = 0.093750 0.718750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.73 302.65 400.43 407.51 438.56 933.51 -------------------------------------------------------------------------------- K point 447 = 0.093750 0.718750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 238.12 291.71 380.96 415.65 434.66 948.93 -------------------------------------------------------------------------------- K point 448 = 0.093750 0.718750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 272.24 367.37 413.45 452.65 954.83 -------------------------------------------------------------------------------- K point 449 = 0.093750 0.781250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 199.51 226.97 375.35 393.22 408.71 999.98 -------------------------------------------------------------------------------- K point 450 = 0.093750 0.781250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 224.64 231.91 385.83 397.94 425.40 979.40 -------------------------------------------------------------------------------- K point 451 = 0.093750 0.781250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 242.23 278.21 381.49 414.84 450.45 944.42 -------------------------------------------------------------------------------- K point 452 = 0.093750 0.781250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 338.41 376.53 437.74 469.94 897.32 -------------------------------------------------------------------------------- K point 453 = 0.093750 0.781250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.06 376.99 395.94 462.27 486.87 840.56 -------------------------------------------------------------------------------- K point 454 = 0.093750 0.781250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.12 384.21 425.13 478.35 528.77 777.02 -------------------------------------------------------------------------------- K point 455 = 0.093750 0.781250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.50 396.42 428.99 480.04 591.39 713.25 -------------------------------------------------------------------------------- K point 456 = 0.093750 0.781250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.99 409.25 421.10 475.77 606.39 697.85 -------------------------------------------------------------------------------- K point 457 = 0.093750 0.781250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.87 405.33 418.87 467.75 548.46 754.12 -------------------------------------------------------------------------------- K point 458 = 0.093750 0.781250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 319.78 381.04 422.00 458.00 491.26 813.78 -------------------------------------------------------------------------------- K point 459 = 0.093750 0.781250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.79 344.33 421.24 444.36 453.73 866.86 -------------------------------------------------------------------------------- K point 460 = 0.093750 0.781250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.43 303.62 415.24 422.71 439.87 911.65 -------------------------------------------------------------------------------- K point 461 = 0.093750 0.781250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.23 269.86 387.67 424.76 425.56 947.99 -------------------------------------------------------------------------------- K point 462 = 0.093750 0.781250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 256.59 363.25 406.98 427.50 976.24 -------------------------------------------------------------------------------- K point 463 = 0.093750 0.781250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.95 251.71 353.35 387.95 425.72 996.03 -------------------------------------------------------------------------------- K point 464 = 0.093750 0.781250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.53 238.87 367.00 375.05 418.44 1005.04 -------------------------------------------------------------------------------- K point 465 = 0.093750 0.843750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 159.07 189.08 308.55 383.19 409.22 1043.46 -------------------------------------------------------------------------------- K point 466 = 0.093750 0.843750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 191.06 192.11 337.91 394.19 403.46 1025.37 -------------------------------------------------------------------------------- K point 467 = 0.093750 0.843750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 208.83 243.46 368.90 388.87 419.45 993.72 -------------------------------------------------------------------------------- K point 468 = 0.093750 0.843750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 235.96 303.04 380.68 401.18 437.90 950.93 -------------------------------------------------------------------------------- K point 469 = 0.093750 0.843750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.62 353.18 376.59 437.81 456.45 898.87 -------------------------------------------------------------------------------- K point 470 = 0.093750 0.843750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.96 374.95 380.60 454.29 509.27 839.65 -------------------------------------------------------------------------------- K point 471 = 0.093750 0.843750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.38 378.67 389.86 456.72 577.87 777.56 -------------------------------------------------------------------------------- K point 472 = 0.093750 0.843750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.16 382.38 392.96 454.15 625.79 733.48 -------------------------------------------------------------------------------- K point 473 = 0.093750 0.843750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.41 378.71 396.08 449.55 594.12 763.78 -------------------------------------------------------------------------------- K point 474 = 0.093750 0.843750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.27 365.48 397.91 445.21 528.65 823.83 -------------------------------------------------------------------------------- K point 475 = 0.093750 0.843750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.92 340.66 398.88 439.39 465.91 882.18 -------------------------------------------------------------------------------- K point 476 = 0.093750 0.843750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.73 302.65 400.43 407.51 438.56 933.51 -------------------------------------------------------------------------------- K point 477 = 0.093750 0.843750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 256.59 363.25 406.98 427.50 976.24 -------------------------------------------------------------------------------- K point 478 = 0.093750 0.843750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 208.06 213.44 326.44 410.96 414.54 1009.83 -------------------------------------------------------------------------------- K point 479 = 0.093750 0.843750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 173.97 202.29 298.37 395.34 416.65 1033.72 -------------------------------------------------------------------------------- K point 480 = 0.093750 0.843750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 153.65 196.64 290.96 382.63 415.38 1045.97 -------------------------------------------------------------------------------- K point 481 = 0.093750 0.906250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 118.09 145.76 226.14 390.27 408.27 1076.58 -------------------------------------------------------------------------------- K point 482 = 0.093750 0.906250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 151.34 153.93 254.51 400.24 405.81 1061.17 -------------------------------------------------------------------------------- K point 483 = 0.093750 0.906250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 173.97 202.29 298.37 395.34 416.65 1033.72 -------------------------------------------------------------------------------- K point 484 = 0.093750 0.906250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.95 251.71 353.35 387.95 425.72 996.03 -------------------------------------------------------------------------------- K point 485 = 0.093750 0.906250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 238.12 291.71 380.96 415.65 434.66 948.93 -------------------------------------------------------------------------------- K point 486 = 0.093750 0.906250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.09 320.55 376.37 426.87 497.33 893.76 -------------------------------------------------------------------------------- K point 487 = 0.093750 0.906250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.01 339.13 374.21 424.13 571.79 833.50 -------------------------------------------------------------------------------- K point 488 = 0.093750 0.906250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.70 347.56 374.71 420.73 633.64 779.44 -------------------------------------------------------------------------------- K point 489 = 0.093750 0.906250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.70 347.56 374.71 420.73 633.64 779.44 -------------------------------------------------------------------------------- K point 490 = 0.093750 0.906250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.01 339.13 374.21 424.13 571.79 833.50 -------------------------------------------------------------------------------- K point 491 = 0.093750 0.906250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.09 320.55 376.37 426.87 497.33 893.76 -------------------------------------------------------------------------------- K point 492 = 0.093750 0.906250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 238.12 291.71 380.96 415.65 434.66 948.93 -------------------------------------------------------------------------------- K point 493 = 0.093750 0.906250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.95 251.71 353.35 387.95 425.72 996.03 -------------------------------------------------------------------------------- K point 494 = 0.093750 0.906250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 173.97 202.29 298.37 395.34 416.65 1033.72 -------------------------------------------------------------------------------- K point 495 = 0.093750 0.906250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 151.34 153.93 254.51 400.24 405.81 1061.17 -------------------------------------------------------------------------------- K point 496 = 0.093750 0.906250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 118.09 145.76 226.14 390.27 408.27 1076.58 -------------------------------------------------------------------------------- K point 497 = 0.093750 0.968750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 83.19 97.39 156.91 396.36 403.28 1098.72 -------------------------------------------------------------------------------- K point 498 = 0.093750 0.968750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 114.91 116.16 178.28 404.41 405.35 1086.33 -------------------------------------------------------------------------------- K point 499 = 0.093750 0.968750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 144.08 156.41 238.30 401.64 409.87 1063.79 -------------------------------------------------------------------------------- K point 500 = 0.093750 0.968750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 180.03 196.53 313.76 395.75 410.68 1031.21 -------------------------------------------------------------------------------- K point 501 = 0.093750 0.968750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 216.19 234.45 385.82 396.72 409.60 988.48 -------------------------------------------------------------------------------- K point 502 = 0.093750 0.968750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 247.69 268.84 382.07 401.34 479.39 936.61 -------------------------------------------------------------------------------- K point 503 = 0.093750 0.968750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 272.47 297.36 376.27 393.44 560.08 878.02 -------------------------------------------------------------------------------- K point 504 = 0.093750 0.968750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 289.35 316.20 369.51 387.85 631.18 819.79 -------------------------------------------------------------------------------- K point 505 = 0.093750 0.968750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.33 321.62 361.10 391.12 659.17 794.94 -------------------------------------------------------------------------------- K point 506 = 0.093750 0.968750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.74 314.50 357.64 400.07 610.38 837.08 -------------------------------------------------------------------------------- K point 507 = 0.093750 0.968750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 262.10 297.49 360.99 408.71 534.11 897.27 -------------------------------------------------------------------------------- K point 508 = 0.093750 0.968750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 272.24 367.37 413.45 452.65 954.83 -------------------------------------------------------------------------------- K point 509 = 0.093750 0.968750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.53 238.87 367.00 375.05 418.44 1005.04 -------------------------------------------------------------------------------- K point 510 = 0.093750 0.968750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 153.65 196.64 290.96 382.63 415.38 1045.97 -------------------------------------------------------------------------------- K point 511 = 0.093750 0.968750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 118.09 145.76 226.14 390.27 408.27 1076.58 -------------------------------------------------------------------------------- K point 512 = 0.093750 0.968750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 93.26 98.92 178.82 396.02 399.65 1095.54 -------------------------------------------------------------------------------- K point 513 = 0.156250 0.031250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 105.44 116.95 210.12 392.54 400.19 1087.46 -------------------------------------------------------------------------------- K point 514 = 0.156250 0.031250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 113.12 126.64 197.63 398.24 406.17 1083.64 -------------------------------------------------------------------------------- K point 515 = 0.156250 0.031250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 146.50 146.94 222.67 408.15 408.98 1066.36 -------------------------------------------------------------------------------- K point 516 = 0.156250 0.031250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 174.39 185.73 277.65 406.13 414.26 1039.83 -------------------------------------------------------------------------------- K point 517 = 0.156250 0.031250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 207.49 225.13 345.84 401.28 415.75 1003.87 -------------------------------------------------------------------------------- K point 518 = 0.156250 0.031250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 239.10 263.02 394.14 410.45 425.77 958.33 -------------------------------------------------------------------------------- K point 519 = 0.156250 0.031250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.35 296.53 390.10 407.60 500.82 904.31 -------------------------------------------------------------------------------- K point 520 = 0.156250 0.031250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.01 322.21 383.97 403.71 576.82 844.75 -------------------------------------------------------------------------------- K point 521 = 0.156250 0.031250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.93 336.86 373.89 405.78 639.20 790.75 -------------------------------------------------------------------------------- K point 522 = 0.156250 0.031250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.05 339.74 363.59 413.08 640.76 788.88 -------------------------------------------------------------------------------- K point 523 = 0.156250 0.031250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 284.48 332.72 359.34 420.87 578.56 842.17 -------------------------------------------------------------------------------- K point 524 = 0.156250 0.031250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.48 316.20 361.63 425.45 501.62 902.87 -------------------------------------------------------------------------------- K point 525 = 0.156250 0.031250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 225.27 289.33 367.22 414.86 434.70 958.97 -------------------------------------------------------------------------------- K point 526 = 0.156250 0.031250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 188.90 249.61 349.12 374.51 424.86 1007.20 -------------------------------------------------------------------------------- K point 527 = 0.156250 0.031250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 153.65 196.64 290.96 382.63 415.38 1045.97 -------------------------------------------------------------------------------- K point 528 = 0.156250 0.031250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 125.99 141.48 244.62 390.84 402.80 1073.76 -------------------------------------------------------------------------------- K point 529 = 0.156250 0.093750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 113.12 126.64 197.63 398.24 406.17 1083.64 -------------------------------------------------------------------------------- K point 530 = 0.156250 0.093750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 95.63 119.40 190.06 391.70 405.31 1090.53 -------------------------------------------------------------------------------- K point 531 = 0.156250 0.093750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 120.61 126.03 216.49 397.06 402.35 1080.84 -------------------------------------------------------------------------------- K point 532 = 0.156250 0.093750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 145.28 173.88 262.72 391.73 412.09 1057.39 -------------------------------------------------------------------------------- K point 533 = 0.156250 0.093750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 178.57 224.28 323.07 383.90 420.19 1023.03 -------------------------------------------------------------------------------- K point 534 = 0.156250 0.093750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 214.79 265.39 376.02 394.01 425.06 978.80 -------------------------------------------------------------------------------- K point 535 = 0.156250 0.093750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 248.79 296.44 369.81 419.74 476.48 925.89 -------------------------------------------------------------------------------- K point 536 = 0.156250 0.093750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.83 318.43 365.38 415.41 554.84 866.66 -------------------------------------------------------------------------------- K point 537 = 0.156250 0.093750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.00 331.03 364.88 408.47 625.15 808.19 -------------------------------------------------------------------------------- K point 538 = 0.156250 0.093750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.39 333.50 368.51 403.55 652.22 784.25 -------------------------------------------------------------------------------- K point 539 = 0.156250 0.093750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.03 325.27 372.18 405.36 603.08 827.49 -------------------------------------------------------------------------------- K point 540 = 0.156250 0.093750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 270.15 306.01 376.23 411.03 528.58 887.52 -------------------------------------------------------------------------------- K point 541 = 0.156250 0.093750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 242.23 278.21 381.49 414.84 450.45 944.42 -------------------------------------------------------------------------------- K point 542 = 0.156250 0.093750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 208.83 243.46 368.90 388.87 419.45 993.72 -------------------------------------------------------------------------------- K point 543 = 0.156250 0.093750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 173.97 202.29 298.37 395.34 416.65 1033.72 -------------------------------------------------------------------------------- K point 544 = 0.156250 0.093750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 144.08 156.41 238.30 401.64 409.87 1063.79 -------------------------------------------------------------------------------- K point 545 = 0.156250 0.156250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 146.50 146.94 222.67 408.15 408.98 1066.36 -------------------------------------------------------------------------------- K point 546 = 0.156250 0.156250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 120.61 126.03 216.49 397.06 402.35 1080.84 -------------------------------------------------------------------------------- K point 547 = 0.156250 0.156250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 122.48 122.48 239.58 394.21 394.21 1079.90 -------------------------------------------------------------------------------- K point 548 = 0.156250 0.156250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 138.94 163.75 276.23 385.37 405.47 1061.33 -------------------------------------------------------------------------------- K point 549 = 0.156250 0.156250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 168.83 222.45 320.32 376.64 419.66 1029.13 -------------------------------------------------------------------------------- K point 550 = 0.156250 0.156250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.15 276.53 368.72 374.83 430.65 986.27 -------------------------------------------------------------------------------- K point 551 = 0.156250 0.156250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 239.37 313.88 362.28 428.07 452.04 934.47 -------------------------------------------------------------------------------- K point 552 = 0.156250 0.156250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 270.33 336.23 358.33 432.10 524.85 875.76 -------------------------------------------------------------------------------- K point 553 = 0.156250 0.156250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.21 347.65 359.34 427.54 598.80 814.86 -------------------------------------------------------------------------------- K point 554 = 0.156250 0.156250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.08 349.62 368.29 419.47 646.58 772.99 -------------------------------------------------------------------------------- K point 555 = 0.156250 0.156250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.23 341.38 382.26 411.10 616.95 800.36 -------------------------------------------------------------------------------- K point 556 = 0.156250 0.156250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.98 321.66 395.69 405.68 548.06 859.00 -------------------------------------------------------------------------------- K point 557 = 0.156250 0.156250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 262.39 291.41 403.91 405.93 472.94 916.95 -------------------------------------------------------------------------------- K point 558 = 0.156250 0.156250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 237.37 253.75 392.77 411.34 412.22 967.88 -------------------------------------------------------------------------------- K point 559 = 0.156250 0.156250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 208.06 213.44 326.44 410.96 414.54 1009.83 -------------------------------------------------------------------------------- K point 560 = 0.156250 0.156250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 176.59 176.84 265.02 412.61 413.28 1042.42 -------------------------------------------------------------------------------- K point 561 = 0.156250 0.218750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 174.39 185.73 277.65 406.13 414.26 1039.83 -------------------------------------------------------------------------------- K point 562 = 0.156250 0.218750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 145.28 173.88 262.72 391.73 412.09 1057.39 -------------------------------------------------------------------------------- K point 563 = 0.156250 0.218750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 138.94 163.75 276.23 385.37 405.47 1061.33 -------------------------------------------------------------------------------- K point 564 = 0.156250 0.218750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 163.27 167.09 305.71 390.78 399.75 1048.53 -------------------------------------------------------------------------------- K point 565 = 0.156250 0.218750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 183.23 215.97 339.91 384.44 413.88 1020.67 -------------------------------------------------------------------------------- K point 566 = 0.156250 0.218750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 211.82 276.82 374.47 377.89 430.94 980.85 -------------------------------------------------------------------------------- K point 567 = 0.156250 0.218750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 243.84 329.48 369.83 420.23 446.10 931.29 -------------------------------------------------------------------------------- K point 568 = 0.156250 0.218750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.76 359.48 367.23 445.67 491.97 873.97 -------------------------------------------------------------------------------- K point 569 = 0.156250 0.218750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.74 366.79 374.39 448.02 563.24 812.17 -------------------------------------------------------------------------------- K point 570 = 0.156250 0.218750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.55 370.82 379.91 444.50 624.33 757.75 -------------------------------------------------------------------------------- K point 571 = 0.156250 0.218750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.61 367.87 387.39 438.22 620.50 762.14 -------------------------------------------------------------------------------- K point 572 = 0.156250 0.218750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.28 354.55 394.76 432.92 559.08 817.98 -------------------------------------------------------------------------------- K point 573 = 0.156250 0.218750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.07 330.88 398.89 430.39 489.81 877.48 -------------------------------------------------------------------------------- K point 574 = 0.156250 0.218750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.03 297.26 401.57 418.28 435.25 931.03 -------------------------------------------------------------------------------- K point 575 = 0.156250 0.218750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 256.59 363.25 406.98 427.50 976.24 -------------------------------------------------------------------------------- K point 576 = 0.156250 0.218750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 203.29 213.98 314.81 411.44 419.24 1012.48 -------------------------------------------------------------------------------- K point 577 = 0.156250 0.281250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 207.49 225.13 345.84 401.28 415.75 1003.87 -------------------------------------------------------------------------------- K point 578 = 0.156250 0.281250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 178.57 224.28 323.07 383.90 420.19 1023.03 -------------------------------------------------------------------------------- K point 579 = 0.156250 0.281250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 168.83 222.45 320.32 376.64 419.66 1029.13 -------------------------------------------------------------------------------- K point 580 = 0.156250 0.281250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 183.23 215.97 339.91 384.44 413.88 1020.67 -------------------------------------------------------------------------------- K point 581 = 0.156250 0.281250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 214.71 222.83 367.60 400.79 407.66 998.19 -------------------------------------------------------------------------------- K point 582 = 0.156250 0.281250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 234.14 270.78 391.22 399.12 426.21 963.52 -------------------------------------------------------------------------------- K point 583 = 0.156250 0.281250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 327.40 388.55 422.40 445.83 918.41 -------------------------------------------------------------------------------- K point 584 = 0.156250 0.281250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.32 373.71 387.04 451.31 468.61 864.49 -------------------------------------------------------------------------------- K point 585 = 0.156250 0.281250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.88 388.49 396.67 462.53 524.33 803.96 -------------------------------------------------------------------------------- K point 586 = 0.156250 0.281250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.04 393.07 403.53 464.91 589.46 742.69 -------------------------------------------------------------------------------- K point 587 = 0.156250 0.281250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 395.47 404.61 463.53 616.51 717.12 -------------------------------------------------------------------------------- K point 588 = 0.156250 0.281250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.08 391.97 402.90 460.38 565.04 766.19 -------------------------------------------------------------------------------- K point 589 = 0.156250 0.281250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 306.51 379.05 399.80 455.10 500.91 827.53 -------------------------------------------------------------------------------- K point 590 = 0.156250 0.281250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.37 349.18 398.85 439.65 454.95 884.39 -------------------------------------------------------------------------------- K point 591 = 0.156250 0.281250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.73 302.65 400.43 407.51 438.56 933.51 -------------------------------------------------------------------------------- K point 592 = 0.156250 0.281250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 233.24 253.54 375.05 408.20 421.60 973.62 -------------------------------------------------------------------------------- K point 593 = 0.156250 0.343750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 239.10 263.02 394.14 410.45 425.77 958.33 -------------------------------------------------------------------------------- K point 594 = 0.156250 0.343750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 214.79 265.39 376.02 394.01 425.06 978.80 -------------------------------------------------------------------------------- K point 595 = 0.156250 0.343750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.15 276.53 368.72 374.83 430.65 986.27 -------------------------------------------------------------------------------- K point 596 = 0.156250 0.343750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 211.82 276.82 374.47 377.89 430.94 980.85 -------------------------------------------------------------------------------- K point 597 = 0.156250 0.343750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 234.14 270.78 391.22 399.12 426.21 963.52 -------------------------------------------------------------------------------- K point 598 = 0.156250 0.343750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.50 283.72 410.55 417.00 427.80 935.41 -------------------------------------------------------------------------------- K point 599 = 0.156250 0.343750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.78 322.20 411.12 432.51 448.39 897.35 -------------------------------------------------------------------------------- K point 600 = 0.156250 0.343750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.01 367.83 411.06 452.70 465.10 850.06 -------------------------------------------------------------------------------- K point 601 = 0.156250 0.343750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.75 403.85 416.03 469.11 493.19 794.62 -------------------------------------------------------------------------------- K point 602 = 0.156250 0.343750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.95 420.14 422.45 473.54 549.18 733.44 -------------------------------------------------------------------------------- K point 603 = 0.156250 0.343750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.40 423.00 427.65 475.33 604.50 678.99 -------------------------------------------------------------------------------- K point 604 = 0.156250 0.343750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.63 417.15 429.08 476.87 577.79 706.11 -------------------------------------------------------------------------------- K point 605 = 0.156250 0.343750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.65 407.80 420.80 475.43 517.86 769.07 -------------------------------------------------------------------------------- K point 606 = 0.156250 0.343750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.21 390.58 400.53 461.61 481.20 829.30 -------------------------------------------------------------------------------- K point 607 = 0.156250 0.343750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.92 340.66 398.88 439.39 465.91 882.18 -------------------------------------------------------------------------------- K point 608 = 0.156250 0.343750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 292.00 402.91 417.83 447.39 925.70 -------------------------------------------------------------------------------- K point 609 = 0.156250 0.406250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.35 296.53 390.10 407.60 500.82 904.31 -------------------------------------------------------------------------------- K point 610 = 0.156250 0.406250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 248.79 296.44 369.81 419.74 476.48 925.89 -------------------------------------------------------------------------------- K point 611 = 0.156250 0.406250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 239.37 313.88 362.28 428.07 452.04 934.47 -------------------------------------------------------------------------------- K point 612 = 0.156250 0.406250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 243.84 329.48 369.83 420.23 446.10 931.29 -------------------------------------------------------------------------------- K point 613 = 0.156250 0.406250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 327.40 388.55 422.40 445.83 918.41 -------------------------------------------------------------------------------- K point 614 = 0.156250 0.406250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.78 322.20 411.12 432.51 448.39 897.35 -------------------------------------------------------------------------------- K point 615 = 0.156250 0.406250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 294.54 337.49 426.61 437.37 462.37 868.45 -------------------------------------------------------------------------------- K point 616 = 0.156250 0.406250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.13 365.11 429.53 453.63 474.51 831.42 -------------------------------------------------------------------------------- K point 617 = 0.156250 0.406250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.27 395.05 437.85 469.94 483.52 786.21 -------------------------------------------------------------------------------- K point 618 = 0.156250 0.406250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.53 421.23 447.82 474.88 513.52 733.59 -------------------------------------------------------------------------------- K point 619 = 0.156250 0.406250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 366.66 440.16 450.42 471.64 569.35 675.92 -------------------------------------------------------------------------------- K point 620 = 0.156250 0.406250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.96 436.75 453.08 472.91 610.99 641.44 -------------------------------------------------------------------------------- K point 621 = 0.156250 0.406250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.00 420.88 440.05 479.07 563.79 705.18 -------------------------------------------------------------------------------- K point 622 = 0.156250 0.406250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.07 404.20 410.28 469.35 537.47 768.09 -------------------------------------------------------------------------------- K point 623 = 0.156250 0.406250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.27 365.48 397.91 445.21 528.65 823.83 -------------------------------------------------------------------------------- K point 624 = 0.156250 0.406250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.35 324.28 398.69 417.37 518.39 869.87 -------------------------------------------------------------------------------- K point 625 = 0.156250 0.468750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.01 322.21 383.97 403.71 576.82 844.75 -------------------------------------------------------------------------------- K point 626 = 0.156250 0.468750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.83 318.43 365.38 415.41 554.84 866.66 -------------------------------------------------------------------------------- K point 627 = 0.156250 0.468750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 270.33 336.23 358.33 432.10 524.85 875.76 -------------------------------------------------------------------------------- K point 628 = 0.156250 0.468750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.76 359.48 367.23 445.67 491.97 873.97 -------------------------------------------------------------------------------- K point 629 = 0.156250 0.468750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.32 373.71 387.04 451.31 468.61 864.49 -------------------------------------------------------------------------------- K point 630 = 0.156250 0.468750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.01 367.83 411.06 452.70 465.10 850.06 -------------------------------------------------------------------------------- K point 631 = 0.156250 0.468750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.13 365.11 429.53 453.63 474.51 831.42 -------------------------------------------------------------------------------- K point 632 = 0.156250 0.468750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.39 379.25 435.07 463.46 484.38 807.61 -------------------------------------------------------------------------------- K point 633 = 0.156250 0.468750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.09 395.93 442.48 473.49 490.20 777.43 -------------------------------------------------------------------------------- K point 634 = 0.156250 0.468750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.47 409.85 459.32 477.37 496.05 740.81 -------------------------------------------------------------------------------- K point 635 = 0.156250 0.468750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.09 428.97 467.57 473.07 524.38 699.73 -------------------------------------------------------------------------------- K point 636 = 0.156250 0.468750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 372.02 446.63 459.20 466.79 575.93 660.16 -------------------------------------------------------------------------------- K point 637 = 0.156250 0.468750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.65 432.13 441.71 475.63 608.68 655.16 -------------------------------------------------------------------------------- K point 638 = 0.156250 0.468750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.10 408.64 415.66 471.48 598.22 709.13 -------------------------------------------------------------------------------- K point 639 = 0.156250 0.468750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.41 378.71 396.08 449.55 594.12 763.78 -------------------------------------------------------------------------------- K point 640 = 0.156250 0.468750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.09 346.88 389.76 420.55 589.30 809.97 -------------------------------------------------------------------------------- K point 641 = 0.156250 0.531250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.93 336.86 373.89 405.78 639.20 790.75 -------------------------------------------------------------------------------- K point 642 = 0.156250 0.531250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.00 331.03 364.88 408.47 625.15 808.19 -------------------------------------------------------------------------------- K point 643 = 0.156250 0.531250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.21 347.65 359.34 427.54 598.80 814.86 -------------------------------------------------------------------------------- K point 644 = 0.156250 0.531250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.74 366.79 374.39 448.02 563.24 812.17 -------------------------------------------------------------------------------- K point 645 = 0.156250 0.531250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.88 388.49 396.67 462.53 524.33 803.96 -------------------------------------------------------------------------------- K point 646 = 0.156250 0.531250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.75 403.85 416.03 469.11 493.19 794.62 -------------------------------------------------------------------------------- K point 647 = 0.156250 0.531250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.27 395.05 437.85 469.94 483.52 786.21 -------------------------------------------------------------------------------- K point 648 = 0.156250 0.531250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.09 395.93 442.48 473.49 490.20 777.43 -------------------------------------------------------------------------------- K point 649 = 0.156250 0.531250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.87 405.71 440.64 480.13 496.94 765.73 -------------------------------------------------------------------------------- K point 650 = 0.156250 0.531250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.97 410.95 448.51 481.48 499.10 749.73 -------------------------------------------------------------------------------- K point 651 = 0.156250 0.531250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 369.50 412.91 464.38 478.28 499.15 730.38 -------------------------------------------------------------------------------- K point 652 = 0.156250 0.531250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 371.88 426.27 460.36 474.21 520.54 711.81 -------------------------------------------------------------------------------- K point 653 = 0.156250 0.531250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.57 431.18 437.33 474.30 559.85 701.83 -------------------------------------------------------------------------------- K point 654 = 0.156250 0.531250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.10 408.64 415.66 471.48 598.22 709.13 -------------------------------------------------------------------------------- K point 655 = 0.156250 0.531250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.16 382.38 392.96 454.15 625.79 733.48 -------------------------------------------------------------------------------- K point 656 = 0.156250 0.531250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.28 358.71 377.34 427.90 639.53 764.09 -------------------------------------------------------------------------------- K point 657 = 0.156250 0.593750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.05 339.74 363.59 413.08 640.76 788.88 -------------------------------------------------------------------------------- K point 658 = 0.156250 0.593750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.39 333.50 368.51 403.55 652.22 784.25 -------------------------------------------------------------------------------- K point 659 = 0.156250 0.593750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.08 349.62 368.29 419.47 646.58 772.99 -------------------------------------------------------------------------------- K point 660 = 0.156250 0.593750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.55 370.82 379.91 444.50 624.33 757.75 -------------------------------------------------------------------------------- K point 661 = 0.156250 0.593750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.04 393.07 403.53 464.91 589.46 742.69 -------------------------------------------------------------------------------- K point 662 = 0.156250 0.593750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.95 420.14 422.45 473.54 549.18 733.44 -------------------------------------------------------------------------------- K point 663 = 0.156250 0.593750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.53 421.23 447.82 474.88 513.52 733.59 -------------------------------------------------------------------------------- K point 664 = 0.156250 0.593750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.47 409.85 459.32 477.37 496.05 740.81 -------------------------------------------------------------------------------- K point 665 = 0.156250 0.593750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.97 410.95 448.51 481.48 499.10 749.73 -------------------------------------------------------------------------------- K point 666 = 0.156250 0.593750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.76 411.60 441.85 482.58 500.52 756.34 -------------------------------------------------------------------------------- K point 667 = 0.156250 0.593750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.68 405.75 446.42 479.23 495.63 759.36 -------------------------------------------------------------------------------- K point 668 = 0.156250 0.593750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 354.83 403.89 450.00 474.83 490.61 760.16 -------------------------------------------------------------------------------- K point 669 = 0.156250 0.593750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.43 413.90 432.34 473.49 504.15 762.05 -------------------------------------------------------------------------------- K point 670 = 0.156250 0.593750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.07 404.20 410.28 469.35 537.47 768.09 -------------------------------------------------------------------------------- K point 671 = 0.156250 0.593750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.38 378.67 389.86 456.72 577.87 777.56 -------------------------------------------------------------------------------- K point 672 = 0.156250 0.593750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.01 360.55 366.75 435.46 614.54 786.01 -------------------------------------------------------------------------------- K point 673 = 0.156250 0.656250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 284.48 332.72 359.34 420.87 578.56 842.17 -------------------------------------------------------------------------------- K point 674 = 0.156250 0.656250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.03 325.27 372.18 405.36 603.08 827.49 -------------------------------------------------------------------------------- K point 675 = 0.156250 0.656250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.23 341.38 382.26 411.10 616.95 800.36 -------------------------------------------------------------------------------- K point 676 = 0.156250 0.656250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.61 367.87 387.39 438.22 620.50 762.14 -------------------------------------------------------------------------------- K point 677 = 0.156250 0.656250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 395.47 404.61 463.53 616.51 717.12 -------------------------------------------------------------------------------- K point 678 = 0.156250 0.656250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.40 423.00 427.65 475.33 604.50 678.99 -------------------------------------------------------------------------------- K point 679 = 0.156250 0.656250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 366.66 440.16 450.42 471.64 569.35 675.92 -------------------------------------------------------------------------------- K point 680 = 0.156250 0.656250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.09 428.97 467.57 473.07 524.38 699.73 -------------------------------------------------------------------------------- K point 681 = 0.156250 0.656250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 369.50 412.91 464.38 478.28 499.15 730.38 -------------------------------------------------------------------------------- K point 682 = 0.156250 0.656250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.68 405.75 446.42 479.23 495.63 759.36 -------------------------------------------------------------------------------- K point 683 = 0.156250 0.656250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.08 394.65 438.33 473.83 491.34 783.40 -------------------------------------------------------------------------------- K point 684 = 0.156250 0.656250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.22 382.21 436.84 464.29 483.48 802.09 -------------------------------------------------------------------------------- K point 685 = 0.156250 0.656250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.48 383.10 424.42 462.53 474.99 816.80 -------------------------------------------------------------------------------- K point 686 = 0.156250 0.656250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.21 390.58 400.53 461.61 481.20 829.30 -------------------------------------------------------------------------------- K point 687 = 0.156250 0.656250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.96 374.95 380.60 454.29 509.27 839.65 -------------------------------------------------------------------------------- K point 688 = 0.156250 0.656250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.31 354.94 361.09 439.67 545.51 845.25 -------------------------------------------------------------------------------- K point 689 = 0.156250 0.718750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.48 316.20 361.63 425.45 501.62 902.87 -------------------------------------------------------------------------------- K point 690 = 0.156250 0.718750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 270.15 306.01 376.23 411.03 528.58 887.52 -------------------------------------------------------------------------------- K point 691 = 0.156250 0.718750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.98 321.66 395.69 405.68 548.06 859.00 -------------------------------------------------------------------------------- K point 692 = 0.156250 0.718750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.28 354.55 394.76 432.92 559.08 817.98 -------------------------------------------------------------------------------- K point 693 = 0.156250 0.718750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.08 391.97 402.90 460.38 565.04 766.19 -------------------------------------------------------------------------------- K point 694 = 0.156250 0.718750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.63 417.15 429.08 476.87 577.79 706.11 -------------------------------------------------------------------------------- K point 695 = 0.156250 0.718750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.96 436.75 453.08 472.91 610.99 641.44 -------------------------------------------------------------------------------- K point 696 = 0.156250 0.718750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 372.02 446.63 459.20 466.79 575.93 660.16 -------------------------------------------------------------------------------- K point 697 = 0.156250 0.718750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 371.88 426.27 460.36 474.21 520.54 711.81 -------------------------------------------------------------------------------- K point 698 = 0.156250 0.718750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 354.83 403.89 450.00 474.83 490.61 760.16 -------------------------------------------------------------------------------- K point 699 = 0.156250 0.718750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.22 382.21 436.84 464.29 483.48 802.09 -------------------------------------------------------------------------------- K point 700 = 0.156250 0.718750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.84 360.08 431.09 450.75 475.02 836.53 -------------------------------------------------------------------------------- K point 701 = 0.156250 0.718750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.91 344.99 420.73 443.13 462.62 863.69 -------------------------------------------------------------------------------- K point 702 = 0.156250 0.718750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.37 349.18 398.85 439.65 454.95 884.39 -------------------------------------------------------------------------------- K point 703 = 0.156250 0.718750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.62 353.18 376.59 437.81 456.45 898.87 -------------------------------------------------------------------------------- K point 704 = 0.156250 0.718750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.92 337.74 362.12 437.13 472.54 905.88 -------------------------------------------------------------------------------- K point 705 = 0.156250 0.781250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 225.27 289.33 367.22 414.86 434.70 958.97 -------------------------------------------------------------------------------- K point 706 = 0.156250 0.781250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 242.23 278.21 381.49 414.84 450.45 944.42 -------------------------------------------------------------------------------- K point 707 = 0.156250 0.781250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 262.39 291.41 403.91 405.93 472.94 916.95 -------------------------------------------------------------------------------- K point 708 = 0.156250 0.781250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.07 330.88 398.89 430.39 489.81 877.48 -------------------------------------------------------------------------------- K point 709 = 0.156250 0.781250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 306.51 379.05 399.80 455.10 500.91 827.53 -------------------------------------------------------------------------------- K point 710 = 0.156250 0.781250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.65 407.80 420.80 475.43 517.86 769.07 -------------------------------------------------------------------------------- K point 711 = 0.156250 0.781250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.00 420.88 440.05 479.07 563.79 705.18 -------------------------------------------------------------------------------- K point 712 = 0.156250 0.781250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.65 432.13 441.71 475.63 608.68 655.16 -------------------------------------------------------------------------------- K point 713 = 0.156250 0.781250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.57 431.18 437.33 474.30 559.85 701.83 -------------------------------------------------------------------------------- K point 714 = 0.156250 0.781250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.43 413.90 432.34 473.49 504.15 762.05 -------------------------------------------------------------------------------- K point 715 = 0.156250 0.781250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.48 383.10 424.42 462.53 474.99 816.80 -------------------------------------------------------------------------------- K point 716 = 0.156250 0.781250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.91 344.99 420.73 443.13 462.62 863.69 -------------------------------------------------------------------------------- K point 717 = 0.156250 0.781250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.67 311.86 421.85 424.13 446.28 901.86 -------------------------------------------------------------------------------- K point 718 = 0.156250 0.781250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.03 297.26 401.57 418.28 435.25 931.03 -------------------------------------------------------------------------------- K point 719 = 0.156250 0.781250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 235.96 303.04 380.68 401.18 437.90 950.93 -------------------------------------------------------------------------------- K point 720 = 0.156250 0.781250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 222.94 303.57 367.14 398.89 437.65 960.73 -------------------------------------------------------------------------------- K point 721 = 0.156250 0.843750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 188.90 249.61 349.12 374.51 424.86 1007.20 -------------------------------------------------------------------------------- K point 722 = 0.156250 0.843750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 208.83 243.46 368.90 388.87 419.45 993.72 -------------------------------------------------------------------------------- K point 723 = 0.156250 0.843750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 237.37 253.75 392.77 411.34 412.22 967.88 -------------------------------------------------------------------------------- K point 724 = 0.156250 0.843750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.03 297.26 401.57 418.28 435.25 931.03 -------------------------------------------------------------------------------- K point 725 = 0.156250 0.843750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.37 349.18 398.85 439.65 454.95 884.39 -------------------------------------------------------------------------------- K point 726 = 0.156250 0.843750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.21 390.58 400.53 461.61 481.20 829.30 -------------------------------------------------------------------------------- K point 727 = 0.156250 0.843750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.07 404.20 410.28 469.35 537.47 768.09 -------------------------------------------------------------------------------- K point 728 = 0.156250 0.843750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.10 408.64 415.66 471.48 598.22 709.13 -------------------------------------------------------------------------------- K point 729 = 0.156250 0.843750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.10 408.64 415.66 471.48 598.22 709.13 -------------------------------------------------------------------------------- K point 730 = 0.156250 0.843750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.07 404.20 410.28 469.35 537.47 768.09 -------------------------------------------------------------------------------- K point 731 = 0.156250 0.843750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.21 390.58 400.53 461.61 481.20 829.30 -------------------------------------------------------------------------------- K point 732 = 0.156250 0.843750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.37 349.18 398.85 439.65 454.95 884.39 -------------------------------------------------------------------------------- K point 733 = 0.156250 0.843750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.03 297.26 401.57 418.28 435.25 931.03 -------------------------------------------------------------------------------- K point 734 = 0.156250 0.843750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 237.37 253.75 392.77 411.34 412.22 967.88 -------------------------------------------------------------------------------- K point 735 = 0.156250 0.843750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 208.83 243.46 368.90 388.87 419.45 993.72 -------------------------------------------------------------------------------- K point 736 = 0.156250 0.843750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 188.90 249.61 349.12 374.51 424.86 1007.20 -------------------------------------------------------------------------------- K point 737 = 0.156250 0.906250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 153.65 196.64 290.96 382.63 415.38 1045.97 -------------------------------------------------------------------------------- K point 738 = 0.156250 0.906250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 173.97 202.29 298.37 395.34 416.65 1033.72 -------------------------------------------------------------------------------- K point 739 = 0.156250 0.906250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 208.06 213.44 326.44 410.96 414.54 1009.83 -------------------------------------------------------------------------------- K point 740 = 0.156250 0.906250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 256.59 363.25 406.98 427.50 976.24 -------------------------------------------------------------------------------- K point 741 = 0.156250 0.906250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.73 302.65 400.43 407.51 438.56 933.51 -------------------------------------------------------------------------------- K point 742 = 0.156250 0.906250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.92 340.66 398.88 439.39 465.91 882.18 -------------------------------------------------------------------------------- K point 743 = 0.156250 0.906250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.27 365.48 397.91 445.21 528.65 823.83 -------------------------------------------------------------------------------- K point 744 = 0.156250 0.906250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.41 378.71 396.08 449.55 594.12 763.78 -------------------------------------------------------------------------------- K point 745 = 0.156250 0.906250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.16 382.38 392.96 454.15 625.79 733.48 -------------------------------------------------------------------------------- K point 746 = 0.156250 0.906250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.38 378.67 389.86 456.72 577.87 777.56 -------------------------------------------------------------------------------- K point 747 = 0.156250 0.906250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.96 374.95 380.60 454.29 509.27 839.65 -------------------------------------------------------------------------------- K point 748 = 0.156250 0.906250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.62 353.18 376.59 437.81 456.45 898.87 -------------------------------------------------------------------------------- K point 749 = 0.156250 0.906250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 235.96 303.04 380.68 401.18 437.90 950.93 -------------------------------------------------------------------------------- K point 750 = 0.156250 0.906250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 208.83 243.46 368.90 388.87 419.45 993.72 -------------------------------------------------------------------------------- K point 751 = 0.156250 0.906250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 191.06 192.11 337.91 394.19 403.46 1025.37 -------------------------------------------------------------------------------- K point 752 = 0.156250 0.906250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 159.07 189.08 308.55 383.19 409.22 1043.46 -------------------------------------------------------------------------------- K point 753 = 0.156250 0.968750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 125.99 141.48 244.62 390.84 402.80 1073.76 -------------------------------------------------------------------------------- K point 754 = 0.156250 0.968750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 144.08 156.41 238.30 401.64 409.87 1063.79 -------------------------------------------------------------------------------- K point 755 = 0.156250 0.968750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 176.59 176.84 265.02 412.61 413.28 1042.42 -------------------------------------------------------------------------------- K point 756 = 0.156250 0.968750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 203.29 213.98 314.81 411.44 419.24 1012.48 -------------------------------------------------------------------------------- K point 757 = 0.156250 0.968750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 233.24 253.54 375.05 408.20 421.60 973.62 -------------------------------------------------------------------------------- K point 758 = 0.156250 0.968750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 292.00 402.91 417.83 447.39 925.70 -------------------------------------------------------------------------------- K point 759 = 0.156250 0.968750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.35 324.28 398.69 417.37 518.39 869.87 -------------------------------------------------------------------------------- K point 760 = 0.156250 0.968750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.09 346.88 389.76 420.55 589.30 809.97 -------------------------------------------------------------------------------- K point 761 = 0.156250 0.968750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.28 358.71 377.34 427.90 639.53 764.09 -------------------------------------------------------------------------------- K point 762 = 0.156250 0.968750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.01 360.55 366.75 435.46 614.54 786.01 -------------------------------------------------------------------------------- K point 763 = 0.156250 0.968750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.31 354.94 361.09 439.67 545.51 845.25 -------------------------------------------------------------------------------- K point 764 = 0.156250 0.968750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.92 337.74 362.12 437.13 472.54 905.88 -------------------------------------------------------------------------------- K point 765 = 0.156250 0.968750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 222.94 303.57 367.14 398.89 437.65 960.73 -------------------------------------------------------------------------------- K point 766 = 0.156250 0.968750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 188.90 249.61 349.12 374.51 424.86 1007.20 -------------------------------------------------------------------------------- K point 767 = 0.156250 0.968750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 159.07 189.08 308.55 383.19 409.22 1043.46 -------------------------------------------------------------------------------- K point 768 = 0.156250 0.968750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 138.87 143.76 272.38 390.73 396.63 1066.90 -------------------------------------------------------------------------------- K point 769 = 0.218750 0.031250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 150.89 160.86 303.58 386.73 396.70 1054.92 -------------------------------------------------------------------------------- K point 770 = 0.218750 0.031250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 152.09 168.42 279.68 392.08 406.35 1054.78 -------------------------------------------------------------------------------- K point 771 = 0.218750 0.031250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 174.39 185.73 277.65 406.13 414.26 1039.83 -------------------------------------------------------------------------------- K point 772 = 0.218750 0.031250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.74 205.59 304.66 417.64 418.11 1015.20 -------------------------------------------------------------------------------- K point 773 = 0.218750 0.031250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 230.31 240.68 349.13 417.34 424.64 982.59 -------------------------------------------------------------------------------- K point 774 = 0.218750 0.031250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.77 280.89 400.52 416.06 428.56 941.44 -------------------------------------------------------------------------------- K point 775 = 0.218750 0.031250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.01 320.07 411.72 426.56 466.20 891.62 -------------------------------------------------------------------------------- K point 776 = 0.218750 0.031250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.42 350.94 405.46 431.96 532.06 834.37 -------------------------------------------------------------------------------- K point 777 = 0.218750 0.031250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.49 371.15 394.12 441.04 597.84 774.78 -------------------------------------------------------------------------------- K point 778 = 0.218750 0.031250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.30 378.50 383.83 450.21 631.26 742.51 -------------------------------------------------------------------------------- K point 779 = 0.218750 0.031250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.31 367.33 386.09 455.50 584.79 784.27 -------------------------------------------------------------------------------- K point 780 = 0.218750 0.031250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.43 361.74 379.50 454.18 514.00 846.70 -------------------------------------------------------------------------------- K point 781 = 0.218750 0.031250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 254.60 355.41 362.38 437.35 457.45 907.12 -------------------------------------------------------------------------------- K point 782 = 0.218750 0.031250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 222.94 303.57 367.14 398.89 437.65 960.73 -------------------------------------------------------------------------------- K point 783 = 0.218750 0.031250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.53 238.87 367.00 375.05 418.44 1005.04 -------------------------------------------------------------------------------- K point 784 = 0.218750 0.031250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 169.23 182.97 335.30 384.17 399.59 1037.54 -------------------------------------------------------------------------------- K point 785 = 0.218750 0.093750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 152.09 168.42 279.68 392.08 406.35 1054.78 -------------------------------------------------------------------------------- K point 786 = 0.218750 0.093750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 132.46 169.91 258.13 384.68 411.37 1064.02 -------------------------------------------------------------------------------- K point 787 = 0.218750 0.093750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 145.28 173.88 262.72 391.73 412.09 1057.39 -------------------------------------------------------------------------------- K point 788 = 0.218750 0.093750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 181.50 182.73 291.48 405.00 409.92 1037.25 -------------------------------------------------------------------------------- K point 789 = 0.218750 0.093750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 202.46 230.08 332.13 400.55 421.83 1006.38 -------------------------------------------------------------------------------- K point 790 = 0.218750 0.093750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 231.34 278.06 380.81 394.49 431.86 965.85 -------------------------------------------------------------------------------- K point 791 = 0.218750 0.093750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 261.17 317.03 388.78 429.63 449.55 916.37 -------------------------------------------------------------------------------- K point 792 = 0.218750 0.093750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.51 343.74 386.24 435.25 514.74 859.38 -------------------------------------------------------------------------------- K point 793 = 0.218750 0.093750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.02 359.07 385.35 435.54 584.79 798.82 -------------------------------------------------------------------------------- K point 794 = 0.218750 0.093750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.56 364.90 383.96 436.75 634.29 753.53 -------------------------------------------------------------------------------- K point 795 = 0.218750 0.093750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 364.48 379.96 439.48 607.40 777.98 -------------------------------------------------------------------------------- K point 796 = 0.218750 0.093750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.66 357.52 376.00 441.16 539.57 837.47 -------------------------------------------------------------------------------- K point 797 = 0.218750 0.093750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 338.41 376.53 437.74 469.94 897.32 -------------------------------------------------------------------------------- K point 798 = 0.218750 0.093750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 235.96 303.04 380.68 401.18 437.90 950.93 -------------------------------------------------------------------------------- K point 799 = 0.218750 0.093750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.95 251.71 353.35 387.95 425.72 996.03 -------------------------------------------------------------------------------- K point 800 = 0.218750 0.093750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 180.03 196.53 313.76 395.75 410.68 1031.21 -------------------------------------------------------------------------------- K point 801 = 0.218750 0.156250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 174.39 185.73 277.65 406.13 414.26 1039.83 -------------------------------------------------------------------------------- K point 802 = 0.218750 0.156250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 145.28 173.88 262.72 391.73 412.09 1057.39 -------------------------------------------------------------------------------- K point 803 = 0.218750 0.156250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 138.94 163.75 276.23 385.37 405.47 1061.33 -------------------------------------------------------------------------------- K point 804 = 0.218750 0.156250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 163.27 167.09 305.71 390.78 399.75 1048.53 -------------------------------------------------------------------------------- K point 805 = 0.218750 0.156250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 183.23 215.97 339.91 384.44 413.88 1020.67 -------------------------------------------------------------------------------- K point 806 = 0.218750 0.156250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 211.82 276.82 374.47 377.89 430.94 980.85 -------------------------------------------------------------------------------- K point 807 = 0.218750 0.156250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 243.84 329.48 369.83 420.23 446.10 931.29 -------------------------------------------------------------------------------- K point 808 = 0.218750 0.156250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.76 359.48 367.23 445.67 491.97 873.97 -------------------------------------------------------------------------------- K point 809 = 0.218750 0.156250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.74 366.79 374.39 448.02 563.24 812.17 -------------------------------------------------------------------------------- K point 810 = 0.218750 0.156250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.55 370.82 379.91 444.50 624.33 757.75 -------------------------------------------------------------------------------- K point 811 = 0.218750 0.156250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.61 367.87 387.39 438.22 620.50 762.14 -------------------------------------------------------------------------------- K point 812 = 0.218750 0.156250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.28 354.55 394.76 432.92 559.08 817.98 -------------------------------------------------------------------------------- K point 813 = 0.218750 0.156250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.07 330.88 398.89 430.39 489.81 877.48 -------------------------------------------------------------------------------- K point 814 = 0.218750 0.156250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.03 297.26 401.57 418.28 435.25 931.03 -------------------------------------------------------------------------------- K point 815 = 0.218750 0.156250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 256.59 363.25 406.98 427.50 976.24 -------------------------------------------------------------------------------- K point 816 = 0.218750 0.156250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 203.29 213.98 314.81 411.44 419.24 1012.48 -------------------------------------------------------------------------------- K point 817 = 0.218750 0.218750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.74 205.59 304.66 417.64 418.11 1015.20 -------------------------------------------------------------------------------- K point 818 = 0.218750 0.218750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 181.50 182.73 291.48 405.00 409.92 1037.25 -------------------------------------------------------------------------------- K point 819 = 0.218750 0.218750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 163.27 167.09 305.71 390.78 399.75 1048.53 -------------------------------------------------------------------------------- K point 820 = 0.218750 0.218750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 166.79 166.79 334.34 388.73 388.73 1043.67 -------------------------------------------------------------------------------- K point 821 = 0.218750 0.218750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 181.52 203.72 365.42 378.07 402.77 1021.32 -------------------------------------------------------------------------------- K point 822 = 0.218750 0.218750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 207.07 263.74 368.93 393.20 424.72 984.32 -------------------------------------------------------------------------------- K point 823 = 0.218750 0.218750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 237.55 330.28 362.40 419.69 446.23 935.96 -------------------------------------------------------------------------------- K point 824 = 0.218750 0.218750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 267.56 359.63 378.94 451.39 472.53 878.87 -------------------------------------------------------------------------------- K point 825 = 0.218750 0.218750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.92 362.37 396.26 462.96 535.41 816.08 -------------------------------------------------------------------------------- K point 826 = 0.218750 0.218750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.92 372.41 397.34 462.92 603.07 755.13 -------------------------------------------------------------------------------- K point 827 = 0.218750 0.218750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.20 387.47 389.49 455.99 623.78 737.05 -------------------------------------------------------------------------------- K point 828 = 0.218750 0.218750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.71 373.75 402.50 444.88 570.77 787.68 -------------------------------------------------------------------------------- K point 829 = 0.218750 0.218750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 294.03 348.22 414.36 433.54 505.44 847.52 -------------------------------------------------------------------------------- K point 830 = 0.218750 0.218750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.67 311.86 421.85 424.13 446.28 901.86 -------------------------------------------------------------------------------- K point 831 = 0.218750 0.218750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.23 269.86 387.67 424.76 425.56 947.99 -------------------------------------------------------------------------------- K point 832 = 0.218750 0.218750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 231.05 232.44 341.11 423.10 423.32 985.53 -------------------------------------------------------------------------------- K point 833 = 0.218750 0.281250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 230.31 240.68 349.13 417.34 424.64 982.59 -------------------------------------------------------------------------------- K point 834 = 0.218750 0.281250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 202.46 230.08 332.13 400.55 421.83 1006.38 -------------------------------------------------------------------------------- K point 835 = 0.218750 0.281250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 183.23 215.97 339.91 384.44 413.88 1020.67 -------------------------------------------------------------------------------- K point 836 = 0.218750 0.281250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 181.52 203.72 365.42 378.07 402.77 1021.32 -------------------------------------------------------------------------------- K point 837 = 0.218750 0.281250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.71 204.76 381.94 394.41 397.46 1005.52 -------------------------------------------------------------------------------- K point 838 = 0.218750 0.281250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 220.53 252.00 376.62 407.93 426.60 974.09 -------------------------------------------------------------------------------- K point 839 = 0.218750 0.281250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 245.53 314.55 369.82 428.41 451.27 929.67 -------------------------------------------------------------------------------- K point 840 = 0.218750 0.281250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.05 367.27 377.65 451.26 471.45 875.01 -------------------------------------------------------------------------------- K point 841 = 0.218750 0.281250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.20 370.78 413.74 472.29 509.28 812.91 -------------------------------------------------------------------------------- K point 842 = 0.218750 0.281250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.42 380.80 420.59 477.07 574.75 748.17 -------------------------------------------------------------------------------- K point 843 = 0.218750 0.281250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.64 394.75 414.65 473.80 618.63 706.38 -------------------------------------------------------------------------------- K point 844 = 0.218750 0.281250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.27 400.11 408.74 465.06 576.80 747.24 -------------------------------------------------------------------------------- K point 845 = 0.218750 0.281250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.03 378.45 417.30 453.74 514.83 807.79 -------------------------------------------------------------------------------- K point 846 = 0.218750 0.281250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.91 344.99 420.73 443.13 462.62 863.69 -------------------------------------------------------------------------------- K point 847 = 0.218750 0.281250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.43 303.62 415.24 422.71 439.87 911.65 -------------------------------------------------------------------------------- K point 848 = 0.218750 0.281250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.09 265.41 380.12 423.64 430.35 951.12 -------------------------------------------------------------------------------- K point 849 = 0.218750 0.343750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.77 280.89 400.52 416.06 428.56 941.44 -------------------------------------------------------------------------------- K point 850 = 0.218750 0.343750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 231.34 278.06 380.81 394.49 431.86 965.85 -------------------------------------------------------------------------------- K point 851 = 0.218750 0.343750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 211.82 276.82 374.47 377.89 430.94 980.85 -------------------------------------------------------------------------------- K point 852 = 0.218750 0.343750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 207.07 263.74 368.93 393.20 424.72 984.32 -------------------------------------------------------------------------------- K point 853 = 0.218750 0.343750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 220.53 252.00 376.62 407.93 426.60 974.09 -------------------------------------------------------------------------------- K point 854 = 0.218750 0.343750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 244.05 261.39 393.18 401.82 450.87 949.57 -------------------------------------------------------------------------------- K point 855 = 0.218750 0.343750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 263.04 304.81 389.27 421.92 471.89 911.88 -------------------------------------------------------------------------------- K point 856 = 0.218750 0.343750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.08 360.05 386.84 446.42 486.77 862.90 -------------------------------------------------------------------------------- K point 857 = 0.218750 0.343750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.04 390.85 410.14 470.53 502.59 804.83 -------------------------------------------------------------------------------- K point 858 = 0.218750 0.343750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.77 401.45 433.64 480.61 547.37 740.64 -------------------------------------------------------------------------------- K point 859 = 0.218750 0.343750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.26 414.23 435.70 479.47 604.13 680.44 -------------------------------------------------------------------------------- K point 860 = 0.218750 0.343750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.81 424.11 426.62 475.43 583.72 698.62 -------------------------------------------------------------------------------- K point 861 = 0.218750 0.343750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.38 410.29 427.35 470.12 522.49 759.31 -------------------------------------------------------------------------------- K point 862 = 0.218750 0.343750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.48 383.10 424.42 462.53 474.99 816.80 -------------------------------------------------------------------------------- K point 863 = 0.218750 0.343750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.79 344.33 421.24 444.36 453.73 866.86 -------------------------------------------------------------------------------- K point 864 = 0.218750 0.343750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.81 306.38 420.05 425.35 437.59 908.45 -------------------------------------------------------------------------------- K point 865 = 0.218750 0.406250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.01 320.07 411.72 426.56 466.20 891.62 -------------------------------------------------------------------------------- K point 866 = 0.218750 0.406250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 261.17 317.03 388.78 429.63 449.55 916.37 -------------------------------------------------------------------------------- K point 867 = 0.218750 0.406250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 243.84 329.48 369.83 420.23 446.10 931.29 -------------------------------------------------------------------------------- K point 868 = 0.218750 0.406250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 237.55 330.28 362.40 419.69 446.23 935.96 -------------------------------------------------------------------------------- K point 869 = 0.218750 0.406250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 245.53 314.55 369.82 428.41 451.27 929.67 -------------------------------------------------------------------------------- K point 870 = 0.218750 0.406250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 263.04 304.81 389.27 421.92 471.89 911.88 -------------------------------------------------------------------------------- K point 871 = 0.218750 0.406250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.18 320.66 410.16 417.61 491.16 882.56 -------------------------------------------------------------------------------- K point 872 = 0.218750 0.406250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.83 355.57 408.74 441.03 504.01 842.36 -------------------------------------------------------------------------------- K point 873 = 0.218750 0.406250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.14 395.65 413.84 463.37 512.55 792.50 -------------------------------------------------------------------------------- K point 874 = 0.218750 0.406250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.51 426.34 428.71 476.70 531.75 734.80 -------------------------------------------------------------------------------- K point 875 = 0.218750 0.406250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.01 440.29 445.22 474.32 577.08 672.55 -------------------------------------------------------------------------------- K point 876 = 0.218750 0.406250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 370.38 443.36 451.61 470.01 598.93 645.90 -------------------------------------------------------------------------------- K point 877 = 0.218750 0.406250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 363.83 434.53 444.61 474.80 543.29 704.02 -------------------------------------------------------------------------------- K point 878 = 0.218750 0.406250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.43 413.90 432.34 473.49 504.15 762.05 -------------------------------------------------------------------------------- K point 879 = 0.218750 0.406250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 319.78 381.04 422.00 458.00 491.26 813.78 -------------------------------------------------------------------------------- K point 880 = 0.218750 0.406250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.53 346.27 419.06 438.21 481.31 857.28 -------------------------------------------------------------------------------- K point 881 = 0.218750 0.468750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.42 350.94 405.46 431.96 532.06 834.37 -------------------------------------------------------------------------------- K point 882 = 0.218750 0.468750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.51 343.74 386.24 435.25 514.74 859.38 -------------------------------------------------------------------------------- K point 883 = 0.218750 0.468750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.76 359.48 367.23 445.67 491.97 873.97 -------------------------------------------------------------------------------- K point 884 = 0.218750 0.468750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 267.56 359.63 378.94 451.39 472.53 878.87 -------------------------------------------------------------------------------- K point 885 = 0.218750 0.468750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.05 367.27 377.65 451.26 471.45 875.01 -------------------------------------------------------------------------------- K point 886 = 0.218750 0.468750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.08 360.05 386.84 446.42 486.77 862.90 -------------------------------------------------------------------------------- K point 887 = 0.218750 0.468750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.83 355.57 408.74 441.03 504.01 842.36 -------------------------------------------------------------------------------- K point 888 = 0.218750 0.468750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 306.66 373.61 418.35 450.38 516.13 813.09 -------------------------------------------------------------------------------- K point 889 = 0.218750 0.468750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.50 399.42 424.05 466.38 523.37 775.23 -------------------------------------------------------------------------------- K point 890 = 0.218750 0.468750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.57 423.06 439.17 473.94 531.62 729.89 -------------------------------------------------------------------------------- K point 891 = 0.218750 0.468750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.03 438.76 459.96 471.03 551.70 679.61 -------------------------------------------------------------------------------- K point 892 = 0.218750 0.468750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 388.34 450.86 459.89 471.23 591.91 629.22 -------------------------------------------------------------------------------- K point 893 = 0.218750 0.468750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.92 448.00 458.06 468.18 586.61 645.64 -------------------------------------------------------------------------------- K point 894 = 0.218750 0.468750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.57 431.18 437.33 474.30 559.85 701.83 -------------------------------------------------------------------------------- K point 895 = 0.218750 0.468750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.87 405.33 418.87 467.75 548.46 754.12 -------------------------------------------------------------------------------- K point 896 = 0.218750 0.468750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.36 376.06 410.61 449.29 542.26 798.96 -------------------------------------------------------------------------------- K point 897 = 0.218750 0.531250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.49 371.15 394.12 441.04 597.84 774.78 -------------------------------------------------------------------------------- K point 898 = 0.218750 0.531250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.02 359.07 385.35 435.54 584.79 798.82 -------------------------------------------------------------------------------- K point 899 = 0.218750 0.531250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.74 366.79 374.39 448.02 563.24 812.17 -------------------------------------------------------------------------------- K point 900 = 0.218750 0.531250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.92 362.37 396.26 462.96 535.41 816.08 -------------------------------------------------------------------------------- K point 901 = 0.218750 0.531250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.20 370.78 413.74 472.29 509.28 812.91 -------------------------------------------------------------------------------- K point 902 = 0.218750 0.531250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.04 390.85 410.14 470.53 502.59 804.83 -------------------------------------------------------------------------------- K point 903 = 0.218750 0.531250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.14 395.65 413.84 463.37 512.55 792.50 -------------------------------------------------------------------------------- K point 904 = 0.218750 0.531250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.50 399.42 424.05 466.38 523.37 775.23 -------------------------------------------------------------------------------- K point 905 = 0.218750 0.531250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.54 417.31 424.89 476.04 532.22 752.28 -------------------------------------------------------------------------------- K point 906 = 0.218750 0.531250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.89 431.09 436.08 477.62 539.69 724.25 -------------------------------------------------------------------------------- K point 907 = 0.218750 0.531250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.41 439.41 454.68 472.15 545.19 693.80 -------------------------------------------------------------------------------- K point 908 = 0.218750 0.531250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 384.72 441.31 466.64 470.16 556.25 665.55 -------------------------------------------------------------------------------- K point 909 = 0.218750 0.531250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.92 448.00 458.06 468.18 586.61 645.64 -------------------------------------------------------------------------------- K point 910 = 0.218750 0.531250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.65 432.13 441.71 475.63 608.68 655.16 -------------------------------------------------------------------------------- K point 911 = 0.218750 0.531250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.99 409.25 421.10 475.77 606.39 697.85 -------------------------------------------------------------------------------- K point 912 = 0.218750 0.531250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.05 394.61 398.23 461.12 603.57 740.35 -------------------------------------------------------------------------------- K point 913 = 0.218750 0.593750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.30 378.50 383.83 450.21 631.26 742.51 -------------------------------------------------------------------------------- K point 914 = 0.218750 0.593750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.56 364.90 383.96 436.75 634.29 753.53 -------------------------------------------------------------------------------- K point 915 = 0.218750 0.593750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.55 370.82 379.91 444.50 624.33 757.75 -------------------------------------------------------------------------------- K point 916 = 0.218750 0.593750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.92 372.41 397.34 462.92 603.07 755.13 -------------------------------------------------------------------------------- K point 917 = 0.218750 0.593750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.42 380.80 420.59 477.07 574.75 748.17 -------------------------------------------------------------------------------- K point 918 = 0.218750 0.593750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.77 401.45 433.64 480.61 547.37 740.64 -------------------------------------------------------------------------------- K point 919 = 0.218750 0.593750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.51 426.34 428.71 476.70 531.75 734.80 -------------------------------------------------------------------------------- K point 920 = 0.218750 0.593750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.57 423.06 439.17 473.94 531.62 729.89 -------------------------------------------------------------------------------- K point 921 = 0.218750 0.593750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.89 431.09 436.08 477.62 539.69 724.25 -------------------------------------------------------------------------------- K point 922 = 0.218750 0.593750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.21 428.12 446.94 476.61 546.50 717.75 -------------------------------------------------------------------------------- K point 923 = 0.218750 0.593750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.76 433.44 446.65 475.48 545.55 711.64 -------------------------------------------------------------------------------- K point 924 = 0.218750 0.593750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.07 433.33 448.57 474.16 539.84 706.88 -------------------------------------------------------------------------------- K point 925 = 0.218750 0.593750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 363.83 434.53 444.61 474.80 543.29 704.02 -------------------------------------------------------------------------------- K point 926 = 0.218750 0.593750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.00 420.88 440.05 479.07 563.79 705.18 -------------------------------------------------------------------------------- K point 927 = 0.218750 0.593750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.50 396.42 428.99 480.04 591.39 713.25 -------------------------------------------------------------------------------- K point 928 = 0.218750 0.593750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.98 382.02 406.83 469.33 615.90 727.40 -------------------------------------------------------------------------------- K point 929 = 0.218750 0.656250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.31 367.33 386.09 455.50 584.79 784.27 -------------------------------------------------------------------------------- K point 930 = 0.218750 0.656250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 364.48 379.96 439.48 607.40 777.98 -------------------------------------------------------------------------------- K point 931 = 0.218750 0.656250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.61 367.87 387.39 438.22 620.50 762.14 -------------------------------------------------------------------------------- K point 932 = 0.218750 0.656250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.20 387.47 389.49 455.99 623.78 737.05 -------------------------------------------------------------------------------- K point 933 = 0.218750 0.656250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.64 394.75 414.65 473.80 618.63 706.38 -------------------------------------------------------------------------------- K point 934 = 0.218750 0.656250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.26 414.23 435.70 479.47 604.13 680.44 -------------------------------------------------------------------------------- K point 935 = 0.218750 0.656250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.01 440.29 445.22 474.32 577.08 672.55 -------------------------------------------------------------------------------- K point 936 = 0.218750 0.656250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.03 438.76 459.96 471.03 551.70 679.61 -------------------------------------------------------------------------------- K point 937 = 0.218750 0.656250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.41 439.41 454.68 472.15 545.19 693.80 -------------------------------------------------------------------------------- K point 938 = 0.218750 0.656250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.76 433.44 446.65 475.48 545.55 711.64 -------------------------------------------------------------------------------- K point 939 = 0.218750 0.656250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.66 427.01 434.90 478.91 540.52 730.21 -------------------------------------------------------------------------------- K point 940 = 0.218750 0.656250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.14 418.26 429.20 475.20 531.43 746.54 -------------------------------------------------------------------------------- K point 941 = 0.218750 0.656250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.38 410.29 427.35 470.12 522.49 759.31 -------------------------------------------------------------------------------- K point 942 = 0.218750 0.656250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.65 407.80 420.80 475.43 517.86 769.07 -------------------------------------------------------------------------------- K point 943 = 0.218750 0.656250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.12 384.21 425.13 478.35 528.77 777.02 -------------------------------------------------------------------------------- K point 944 = 0.218750 0.656250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.09 368.97 409.88 471.02 555.82 782.90 -------------------------------------------------------------------------------- K point 945 = 0.218750 0.718750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.43 361.74 379.50 454.18 514.00 846.70 -------------------------------------------------------------------------------- K point 946 = 0.218750 0.718750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.66 357.52 376.00 441.16 539.57 837.47 -------------------------------------------------------------------------------- K point 947 = 0.218750 0.718750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.28 354.55 394.76 432.92 559.08 817.98 -------------------------------------------------------------------------------- K point 948 = 0.218750 0.718750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.71 373.75 402.50 444.88 570.77 787.68 -------------------------------------------------------------------------------- K point 949 = 0.218750 0.718750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.27 400.11 408.74 465.06 576.80 747.24 -------------------------------------------------------------------------------- K point 950 = 0.218750 0.718750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.81 424.11 426.62 475.43 583.72 698.62 -------------------------------------------------------------------------------- K point 951 = 0.218750 0.718750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 370.38 443.36 451.61 470.01 598.93 645.90 -------------------------------------------------------------------------------- K point 952 = 0.218750 0.718750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 388.34 450.86 459.89 471.23 591.91 629.22 -------------------------------------------------------------------------------- K point 953 = 0.218750 0.718750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 384.72 441.31 466.64 470.16 556.25 665.55 -------------------------------------------------------------------------------- K point 954 = 0.218750 0.718750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.07 433.33 448.57 474.16 539.84 706.88 -------------------------------------------------------------------------------- K point 955 = 0.218750 0.718750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.14 418.26 429.20 475.20 531.43 746.54 -------------------------------------------------------------------------------- K point 956 = 0.218750 0.718750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.86 396.67 421.93 465.71 524.39 780.73 -------------------------------------------------------------------------------- K point 957 = 0.218750 0.718750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.03 378.45 417.30 453.74 514.83 807.79 -------------------------------------------------------------------------------- K point 958 = 0.218750 0.718750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 306.51 379.05 399.80 455.10 500.91 827.53 -------------------------------------------------------------------------------- K point 959 = 0.218750 0.718750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.06 376.99 395.94 462.27 486.87 840.56 -------------------------------------------------------------------------------- K point 960 = 0.218750 0.718750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.95 362.38 398.53 463.02 490.20 847.19 -------------------------------------------------------------------------------- K point 961 = 0.218750 0.781250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 254.60 355.41 362.38 437.35 457.45 907.12 -------------------------------------------------------------------------------- K point 962 = 0.218750 0.781250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 338.41 376.53 437.74 469.94 897.32 -------------------------------------------------------------------------------- K point 963 = 0.218750 0.781250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.07 330.88 398.89 430.39 489.81 877.48 -------------------------------------------------------------------------------- K point 964 = 0.218750 0.781250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 294.03 348.22 414.36 433.54 505.44 847.52 -------------------------------------------------------------------------------- K point 965 = 0.218750 0.781250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.03 378.45 417.30 453.74 514.83 807.79 -------------------------------------------------------------------------------- K point 966 = 0.218750 0.781250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.38 410.29 427.35 470.12 522.49 759.31 -------------------------------------------------------------------------------- K point 967 = 0.218750 0.781250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 363.83 434.53 444.61 474.80 543.29 704.02 -------------------------------------------------------------------------------- K point 968 = 0.218750 0.781250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.92 448.00 458.06 468.18 586.61 645.64 -------------------------------------------------------------------------------- K point 969 = 0.218750 0.781250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.92 448.00 458.06 468.18 586.61 645.64 -------------------------------------------------------------------------------- K point 970 = 0.218750 0.781250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 363.83 434.53 444.61 474.80 543.29 704.02 -------------------------------------------------------------------------------- K point 971 = 0.218750 0.781250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.38 410.29 427.35 470.12 522.49 759.31 -------------------------------------------------------------------------------- K point 972 = 0.218750 0.781250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.03 378.45 417.30 453.74 514.83 807.79 -------------------------------------------------------------------------------- K point 973 = 0.218750 0.781250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 294.03 348.22 414.36 433.54 505.44 847.52 -------------------------------------------------------------------------------- K point 974 = 0.218750 0.781250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.07 330.88 398.89 430.39 489.81 877.48 -------------------------------------------------------------------------------- K point 975 = 0.218750 0.781250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 338.41 376.53 437.74 469.94 897.32 -------------------------------------------------------------------------------- K point 976 = 0.218750 0.781250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 254.60 355.41 362.38 437.35 457.45 907.12 -------------------------------------------------------------------------------- K point 977 = 0.218750 0.843750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 222.94 303.57 367.14 398.89 437.65 960.73 -------------------------------------------------------------------------------- K point 978 = 0.218750 0.843750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 235.96 303.04 380.68 401.18 437.90 950.93 -------------------------------------------------------------------------------- K point 979 = 0.218750 0.843750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.03 297.26 401.57 418.28 435.25 931.03 -------------------------------------------------------------------------------- K point 980 = 0.218750 0.843750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.67 311.86 421.85 424.13 446.28 901.86 -------------------------------------------------------------------------------- K point 981 = 0.218750 0.843750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.91 344.99 420.73 443.13 462.62 863.69 -------------------------------------------------------------------------------- K point 982 = 0.218750 0.843750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.48 383.10 424.42 462.53 474.99 816.80 -------------------------------------------------------------------------------- K point 983 = 0.218750 0.843750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.43 413.90 432.34 473.49 504.15 762.05 -------------------------------------------------------------------------------- K point 984 = 0.218750 0.843750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.57 431.18 437.33 474.30 559.85 701.83 -------------------------------------------------------------------------------- K point 985 = 0.218750 0.843750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.65 432.13 441.71 475.63 608.68 655.16 -------------------------------------------------------------------------------- K point 986 = 0.218750 0.843750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.00 420.88 440.05 479.07 563.79 705.18 -------------------------------------------------------------------------------- K point 987 = 0.218750 0.843750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.65 407.80 420.80 475.43 517.86 769.07 -------------------------------------------------------------------------------- K point 988 = 0.218750 0.843750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 306.51 379.05 399.80 455.10 500.91 827.53 -------------------------------------------------------------------------------- K point 989 = 0.218750 0.843750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.07 330.88 398.89 430.39 489.81 877.48 -------------------------------------------------------------------------------- K point 990 = 0.218750 0.843750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 262.39 291.41 403.91 405.93 472.94 916.95 -------------------------------------------------------------------------------- K point 991 = 0.218750 0.843750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 242.23 278.21 381.49 414.84 450.45 944.42 -------------------------------------------------------------------------------- K point 992 = 0.218750 0.843750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 225.27 289.33 367.22 414.86 434.70 958.97 -------------------------------------------------------------------------------- K point 993 = 0.218750 0.906250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.53 238.87 367.00 375.05 418.44 1005.04 -------------------------------------------------------------------------------- K point 994 = 0.218750 0.906250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.95 251.71 353.35 387.95 425.72 996.03 -------------------------------------------------------------------------------- K point 995 = 0.218750 0.906250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 256.59 363.25 406.98 427.50 976.24 -------------------------------------------------------------------------------- K point 996 = 0.218750 0.906250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.23 269.86 387.67 424.76 425.56 947.99 -------------------------------------------------------------------------------- K point 997 = 0.218750 0.906250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.43 303.62 415.24 422.71 439.87 911.65 -------------------------------------------------------------------------------- K point 998 = 0.218750 0.906250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.79 344.33 421.24 444.36 453.73 866.86 -------------------------------------------------------------------------------- K point 999 = 0.218750 0.906250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 319.78 381.04 422.00 458.00 491.26 813.78 -------------------------------------------------------------------------------- K point *** = 0.218750 0.906250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.87 405.33 418.87 467.75 548.46 754.12 -------------------------------------------------------------------------------- K point *** = 0.218750 0.906250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.99 409.25 421.10 475.77 606.39 697.85 -------------------------------------------------------------------------------- K point *** = 0.218750 0.906250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.50 396.42 428.99 480.04 591.39 713.25 -------------------------------------------------------------------------------- K point *** = 0.218750 0.906250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.12 384.21 425.13 478.35 528.77 777.02 -------------------------------------------------------------------------------- K point *** = 0.218750 0.906250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.06 376.99 395.94 462.27 486.87 840.56 -------------------------------------------------------------------------------- K point *** = 0.218750 0.906250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 338.41 376.53 437.74 469.94 897.32 -------------------------------------------------------------------------------- K point *** = 0.218750 0.906250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 242.23 278.21 381.49 414.84 450.45 944.42 -------------------------------------------------------------------------------- K point *** = 0.218750 0.906250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 224.64 231.91 385.83 397.94 425.40 979.40 -------------------------------------------------------------------------------- K point *** = 0.218750 0.906250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 199.51 226.97 375.35 393.22 408.71 999.98 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 169.23 182.97 335.30 384.17 399.59 1037.54 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 180.03 196.53 313.76 395.75 410.68 1031.21 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 203.29 213.98 314.81 411.44 419.24 1012.48 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 231.05 232.44 341.11 423.10 423.32 985.53 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.09 265.41 380.12 423.64 430.35 951.12 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.81 306.38 420.05 425.35 437.59 908.45 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.53 346.27 419.06 438.21 481.31 857.28 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.36 376.06 410.61 449.29 542.26 798.96 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.05 394.61 398.23 461.12 603.57 740.35 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.98 382.02 406.83 469.33 615.90 727.40 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.09 368.97 409.88 471.02 555.82 782.90 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.95 362.38 398.53 463.02 490.20 847.19 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 254.60 355.41 362.38 437.35 457.45 907.12 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 225.27 289.33 367.22 414.86 434.70 958.97 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 199.51 226.97 375.35 393.22 408.71 999.98 -------------------------------------------------------------------------------- K point *** = 0.218750 0.968750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 182.11 185.15 365.40 384.27 391.31 1027.14 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.98 200.81 379.47 389.81 397.36 1011.65 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.16 207.58 365.39 385.57 403.64 1015.16 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 207.49 225.13 345.84 401.28 415.75 1003.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 230.31 240.68 349.13 417.34 424.64 982.59 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.21 257.08 373.99 428.75 428.82 954.39 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.31 287.77 407.44 430.13 436.23 919.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.16 329.31 429.42 438.52 449.75 875.86 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.51 369.98 424.84 451.85 492.80 824.01 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.99 399.60 414.76 465.72 550.31 764.99 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.70 400.24 418.99 476.65 608.93 707.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.37 383.84 429.46 482.05 598.70 718.08 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.45 369.80 427.24 480.30 534.76 782.06 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.95 362.38 398.53 463.02 490.20 847.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.92 337.74 362.12 437.13 472.54 905.88 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 272.24 367.37 413.45 452.65 954.83 -------------------------------------------------------------------------------- K point *** = 0.281250 0.031250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 209.32 220.30 376.24 393.01 426.69 991.06 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 192.16 207.58 365.39 385.57 403.64 1015.16 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 173.21 213.06 338.33 377.12 413.27 1026.80 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 178.57 224.28 323.07 383.90 420.19 1023.03 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 202.46 230.08 332.13 400.55 421.83 1006.38 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 233.11 242.67 358.68 417.87 419.54 979.75 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.26 281.25 391.18 414.36 433.55 944.30 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.41 324.89 410.74 427.62 445.79 900.10 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.64 362.08 410.38 448.57 480.04 847.54 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 317.86 385.86 409.32 456.59 539.50 788.29 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.83 398.03 405.48 464.15 600.68 729.66 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.17 392.36 409.13 469.63 609.60 720.54 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 312.22 382.77 409.47 470.19 549.35 777.26 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.06 376.99 395.94 462.27 486.87 840.56 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.62 353.18 376.59 437.81 456.45 898.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 238.12 291.71 380.96 415.65 434.66 948.93 -------------------------------------------------------------------------------- K point *** = 0.281250 0.093750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 216.19 234.45 385.82 396.72 409.60 988.48 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 207.49 225.13 345.84 401.28 415.75 1003.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 178.57 224.28 323.07 383.90 420.19 1023.03 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 168.83 222.45 320.32 376.64 419.66 1029.13 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 183.23 215.97 339.91 384.44 413.88 1020.67 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 214.71 222.83 367.60 400.79 407.66 998.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 234.14 270.78 391.22 399.12 426.21 963.52 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 327.40 388.55 422.40 445.83 918.41 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.32 373.71 387.04 451.31 468.61 864.49 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.88 388.49 396.67 462.53 524.33 803.96 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.04 393.07 403.53 464.91 589.46 742.69 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 395.47 404.61 463.53 616.51 717.12 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.08 391.97 402.90 460.38 565.04 766.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 306.51 379.05 399.80 455.10 500.91 827.53 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.37 349.18 398.85 439.65 454.95 884.39 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.73 302.65 400.43 407.51 438.56 933.51 -------------------------------------------------------------------------------- K point *** = 0.281250 0.156250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 233.24 253.54 375.05 408.20 421.60 973.62 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 230.31 240.68 349.13 417.34 424.64 982.59 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 202.46 230.08 332.13 400.55 421.83 1006.38 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 183.23 215.97 339.91 384.44 413.88 1020.67 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 181.52 203.72 365.42 378.07 402.77 1021.32 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.71 204.76 381.94 394.41 397.46 1005.52 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 220.53 252.00 376.62 407.93 426.60 974.09 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 245.53 314.55 369.82 428.41 451.27 929.67 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.05 367.27 377.65 451.26 471.45 875.01 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.20 370.78 413.74 472.29 509.28 812.91 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.42 380.80 420.59 477.07 574.75 748.17 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.64 394.75 414.65 473.80 618.63 706.38 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.27 400.11 408.74 465.06 576.80 747.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.03 378.45 417.30 453.74 514.83 807.79 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.91 344.99 420.73 443.13 462.62 863.69 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.43 303.62 415.24 422.71 439.87 911.65 -------------------------------------------------------------------------------- K point *** = 0.281250 0.218750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.09 265.41 380.12 423.64 430.35 951.12 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.21 257.08 373.99 428.75 428.82 954.39 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 233.11 242.67 358.68 417.87 419.54 979.75 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 214.71 222.83 367.60 400.79 407.66 998.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.71 204.76 381.94 394.41 397.46 1005.52 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 206.71 206.71 381.31 381.31 427.38 997.10 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 220.59 238.44 369.98 395.51 455.88 971.61 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 242.91 293.99 362.06 419.07 478.20 930.92 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.50 359.18 359.80 445.50 493.89 878.01 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.80 363.07 414.92 473.03 511.70 815.96 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.18 374.67 437.48 485.29 561.39 748.65 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.83 391.32 436.24 484.34 617.05 690.79 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 319.47 408.17 421.54 477.70 585.85 719.94 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.86 396.67 421.93 465.71 524.39 780.73 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.84 360.08 431.09 450.75 475.02 836.53 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.32 316.28 434.00 435.16 443.01 883.98 -------------------------------------------------------------------------------- K point *** = 0.281250 0.281250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.90 279.21 403.00 434.21 434.62 922.89 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.31 287.77 407.44 430.13 436.23 919.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.26 281.25 391.18 414.36 433.55 944.30 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 234.14 270.78 391.22 399.12 426.21 963.52 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 220.53 252.00 376.62 407.93 426.60 974.09 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 220.59 238.44 369.98 395.51 455.88 971.61 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 237.55 242.02 375.41 386.17 485.01 953.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 253.34 281.74 369.84 404.42 507.59 919.15 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 275.08 337.75 366.35 432.78 522.20 871.42 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.07 369.86 396.08 462.77 532.51 812.79 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.36 381.96 436.52 484.00 557.76 746.36 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 325.74 398.90 451.60 484.32 610.29 678.03 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.02 415.79 442.97 480.62 595.37 685.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.14 418.26 429.20 475.20 531.43 746.54 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.22 382.21 436.84 464.29 483.48 802.09 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.30 339.99 438.10 451.35 455.10 849.34 -------------------------------------------------------------------------------- K point *** = 0.281250 0.343750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.71 307.43 430.76 436.58 442.17 888.03 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.16 329.31 429.42 438.52 449.75 875.86 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.41 324.89 410.74 427.62 445.79 900.10 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 327.40 388.55 422.40 445.83 918.41 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 245.53 314.55 369.82 428.41 451.27 929.67 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 242.91 293.99 362.06 419.07 478.20 930.92 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 253.34 281.74 369.84 404.42 507.59 919.15 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.16 294.27 390.62 392.31 530.90 893.11 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.61 330.58 385.34 420.14 545.76 853.46 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 375.18 389.14 450.53 553.72 802.02 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.86 399.11 420.18 475.21 564.48 741.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.94 417.10 449.02 479.86 597.33 674.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.26 434.04 458.33 470.77 604.64 650.12 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.07 433.33 448.57 474.16 539.84 706.88 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 354.83 403.89 450.00 474.83 490.61 760.16 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.90 373.76 442.29 465.11 471.48 806.57 -------------------------------------------------------------------------------- K point *** = 0.281250 0.406250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.63 349.17 435.63 450.43 462.49 845.04 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.51 369.98 424.84 451.85 492.80 824.01 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.64 362.08 410.38 448.57 480.04 847.54 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.32 373.71 387.04 451.31 468.61 864.49 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.05 367.27 377.65 451.26 471.45 875.01 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.50 359.18 359.80 445.50 493.89 878.01 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 275.08 337.75 366.35 432.78 522.20 871.42 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.61 330.58 385.34 420.14 545.76 853.46 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 294.26 348.26 399.14 424.43 561.20 823.49 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.89 377.69 402.62 448.91 568.99 782.18 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.74 408.95 415.00 469.41 574.51 731.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 358.44 433.96 438.09 474.93 589.17 673.59 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.17 451.03 458.52 465.59 608.05 625.91 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 384.72 441.31 466.64 470.16 556.25 665.55 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 371.88 426.27 460.36 474.21 520.54 711.81 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.79 411.36 440.82 473.82 507.83 755.50 -------------------------------------------------------------------------------- K point *** = 0.281250 0.468750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.78 390.87 429.50 465.03 501.48 793.33 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.99 399.60 414.76 465.72 550.31 764.99 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 317.86 385.86 409.32 456.59 539.50 788.29 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.88 388.49 396.67 462.53 524.33 803.96 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.20 370.78 413.74 472.29 509.28 812.91 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.80 363.07 414.92 473.03 511.70 815.96 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.07 369.86 396.08 462.77 532.51 812.79 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 375.18 389.14 450.53 553.72 802.02 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.89 377.69 402.62 448.91 568.99 782.18 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.14 398.19 405.59 463.98 578.13 752.72 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.33 412.72 422.45 476.94 584.84 714.50 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.75 430.75 443.42 476.18 594.19 670.22 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.17 451.03 458.52 465.59 608.05 625.91 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 388.34 450.86 459.89 471.23 591.91 629.22 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 372.02 446.63 459.20 466.79 575.93 660.16 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.18 430.51 441.82 476.72 566.75 697.62 -------------------------------------------------------------------------------- K point *** = 0.281250 0.531250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.23 418.00 421.59 476.97 558.42 734.13 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.70 400.24 418.99 476.65 608.93 707.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.83 398.03 405.48 464.15 600.68 729.66 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.04 393.07 403.53 464.91 589.46 742.69 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.42 380.80 420.59 477.07 574.75 748.17 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.18 374.67 437.48 485.29 561.39 748.65 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.36 381.96 436.52 484.00 557.76 746.36 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.86 399.11 420.18 475.21 564.48 741.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.74 408.95 415.00 469.41 574.51 731.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.33 412.72 422.45 476.94 584.84 714.50 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.68 410.05 443.21 482.20 596.37 691.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.35 417.30 460.66 475.24 606.15 665.90 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.26 434.04 458.33 470.77 604.64 650.12 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 370.38 443.36 451.61 470.01 598.93 645.90 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.96 436.75 453.08 472.91 610.99 641.44 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.17 415.82 456.13 478.48 625.87 646.90 -------------------------------------------------------------------------------- K point *** = 0.281250 0.593750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.45 402.28 440.90 483.69 617.54 678.40 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.37 383.84 429.46 482.05 598.70 718.08 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.17 392.36 409.13 469.63 609.60 720.54 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 395.47 404.61 463.53 616.51 717.12 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.64 394.75 414.65 473.80 618.63 706.38 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.83 391.32 436.24 484.34 617.05 690.79 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 325.74 398.90 451.60 484.32 610.29 678.03 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.94 417.10 449.02 479.86 597.33 674.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 358.44 433.96 438.09 474.93 589.17 673.59 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.75 430.75 443.42 476.18 594.19 670.22 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.35 417.30 460.66 475.24 606.15 665.90 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 325.77 411.04 461.59 476.88 607.22 671.33 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.02 415.79 442.97 480.62 595.37 685.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.81 424.11 426.62 475.43 583.72 698.62 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.63 417.15 429.08 476.87 577.79 706.11 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 398.23 443.62 483.80 579.07 709.95 -------------------------------------------------------------------------------- K point *** = 0.281250 0.656250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.55 384.77 445.42 486.69 587.18 713.56 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.45 369.80 427.24 480.30 534.76 782.06 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 312.22 382.77 409.47 470.19 549.35 777.26 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.08 391.97 402.90 460.38 565.04 766.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.27 400.11 408.74 465.06 576.80 747.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 319.47 408.17 421.54 477.70 585.85 719.94 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.02 415.79 442.97 480.62 595.37 685.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.26 434.04 458.33 470.77 604.64 650.12 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.17 451.03 458.52 465.59 608.05 625.91 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.17 451.03 458.52 465.59 608.05 625.91 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.26 434.04 458.33 470.77 604.64 650.12 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.02 415.79 442.97 480.62 595.37 685.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 319.47 408.17 421.54 477.70 585.85 719.94 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.27 400.11 408.74 465.06 576.80 747.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.08 391.97 402.90 460.38 565.04 766.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 312.22 382.77 409.47 470.19 549.35 777.26 -------------------------------------------------------------------------------- K point *** = 0.281250 0.718750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.45 369.80 427.24 480.30 534.76 782.06 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.95 362.38 398.53 463.02 490.20 847.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.06 376.99 395.94 462.27 486.87 840.56 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 306.51 379.05 399.80 455.10 500.91 827.53 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.03 378.45 417.30 453.74 514.83 807.79 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.86 396.67 421.93 465.71 524.39 780.73 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.14 418.26 429.20 475.20 531.43 746.54 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.07 433.33 448.57 474.16 539.84 706.88 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 384.72 441.31 466.64 470.16 556.25 665.55 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 388.34 450.86 459.89 471.23 591.91 629.22 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 370.38 443.36 451.61 470.01 598.93 645.90 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.81 424.11 426.62 475.43 583.72 698.62 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.27 400.11 408.74 465.06 576.80 747.24 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.71 373.75 402.50 444.88 570.77 787.68 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.28 354.55 394.76 432.92 559.08 817.98 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.66 357.52 376.00 441.16 539.57 837.47 -------------------------------------------------------------------------------- K point *** = 0.281250 0.781250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.43 361.74 379.50 454.18 514.00 846.70 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.92 337.74 362.12 437.13 472.54 905.88 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.62 353.18 376.59 437.81 456.45 898.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.37 349.18 398.85 439.65 454.95 884.39 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.91 344.99 420.73 443.13 462.62 863.69 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.84 360.08 431.09 450.75 475.02 836.53 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.22 382.21 436.84 464.29 483.48 802.09 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 354.83 403.89 450.00 474.83 490.61 760.16 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 371.88 426.27 460.36 474.21 520.54 711.81 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 372.02 446.63 459.20 466.79 575.93 660.16 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.96 436.75 453.08 472.91 610.99 641.44 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.63 417.15 429.08 476.87 577.79 706.11 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.08 391.97 402.90 460.38 565.04 766.19 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.28 354.55 394.76 432.92 559.08 817.98 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.98 321.66 395.69 405.68 548.06 859.00 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 270.15 306.01 376.23 411.03 528.58 887.52 -------------------------------------------------------------------------------- K point *** = 0.281250 0.843750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.48 316.20 361.63 425.45 501.62 902.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 229.77 272.24 367.37 413.45 452.65 954.83 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 238.12 291.71 380.96 415.65 434.66 948.93 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.73 302.65 400.43 407.51 438.56 933.51 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.43 303.62 415.24 422.71 439.87 911.65 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.32 316.28 434.00 435.16 443.01 883.98 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.30 339.99 438.10 451.35 455.10 849.34 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.90 373.76 442.29 465.11 471.48 806.57 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.79 411.36 440.82 473.82 507.83 755.50 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.18 430.51 441.82 476.72 566.75 697.62 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.17 415.82 456.13 478.48 625.87 646.90 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 398.23 443.62 483.80 579.07 709.95 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 312.22 382.77 409.47 470.19 549.35 777.26 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.66 357.52 376.00 441.16 539.57 837.47 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 270.15 306.01 376.23 411.03 528.58 887.52 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 253.19 267.15 380.36 389.11 509.76 924.83 -------------------------------------------------------------------------------- K point *** = 0.281250 0.906250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 236.17 258.97 367.61 399.38 483.15 947.44 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 209.32 220.30 376.24 393.01 426.69 991.06 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 216.19 234.45 385.82 396.72 409.60 988.48 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 233.24 253.54 375.05 408.20 421.60 973.62 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.09 265.41 380.12 423.64 430.35 951.12 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.90 279.21 403.00 434.21 434.62 922.89 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.71 307.43 430.76 436.58 442.17 888.03 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.63 349.17 435.63 450.43 462.49 845.04 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.78 390.87 429.50 465.03 501.48 793.33 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.23 418.00 421.59 476.97 558.42 734.13 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.45 402.28 440.90 483.69 617.54 678.40 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.55 384.77 445.42 486.69 587.18 713.56 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.45 369.80 427.24 480.30 534.76 782.06 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.43 361.74 379.50 454.18 514.00 846.70 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.48 316.20 361.63 425.45 501.62 902.87 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 236.17 258.97 367.61 399.38 483.15 947.44 -------------------------------------------------------------------------------- K point *** = 0.281250 0.968750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 221.07 221.83 375.85 383.56 457.27 977.53 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 230.28 235.62 370.87 382.30 487.06 959.13 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 228.63 242.94 377.10 396.72 454.47 965.82 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 239.10 263.02 394.14 410.45 425.77 958.33 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.77 280.89 400.52 416.06 428.56 941.44 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.31 287.77 407.44 430.13 436.23 919.19 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.87 298.55 427.93 439.53 440.31 892.28 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.08 324.10 442.31 447.59 450.74 859.00 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.09 365.59 440.67 461.34 472.81 817.48 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.25 408.59 433.18 474.69 508.96 767.06 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.05 420.28 441.62 479.64 567.85 708.92 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.31 403.33 457.86 481.79 632.08 652.88 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.55 384.77 445.42 486.69 587.18 713.56 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.09 368.97 409.88 471.02 555.82 782.90 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.31 354.94 361.09 439.67 545.51 845.25 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 262.10 297.49 360.99 408.71 534.11 897.27 -------------------------------------------------------------------------------- K point *** = 0.343750 0.031250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 244.08 252.52 367.85 384.49 514.67 936.03 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 228.63 242.94 377.10 396.72 454.47 965.82 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 212.68 248.81 369.34 407.19 427.14 979.75 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 214.79 265.39 376.02 394.01 425.06 978.80 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 231.34 278.06 380.81 394.49 431.86 965.85 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.26 281.25 391.18 414.36 433.55 944.30 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.07 294.53 412.98 430.02 433.90 915.66 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.89 323.30 429.72 437.06 446.43 879.55 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.41 360.67 432.01 456.46 462.77 835.17 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.94 397.51 432.42 467.03 500.12 782.47 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.03 423.81 426.26 475.44 557.28 723.04 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.78 413.73 440.55 480.76 614.10 669.72 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 398.23 443.62 483.80 579.07 709.95 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.12 384.21 425.13 478.35 528.77 777.02 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.96 374.95 380.60 454.29 509.27 839.65 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.09 320.55 376.37 426.87 497.33 893.76 -------------------------------------------------------------------------------- K point *** = 0.343750 0.093750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 247.69 268.84 382.07 401.34 479.39 936.61 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 239.10 263.02 394.14 410.45 425.77 958.33 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 214.79 265.39 376.02 394.01 425.06 978.80 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 204.15 276.53 368.72 374.83 430.65 986.27 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 211.82 276.82 374.47 377.89 430.94 980.85 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 234.14 270.78 391.22 399.12 426.21 963.52 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.50 283.72 410.55 417.00 427.80 935.41 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.78 322.20 411.12 432.51 448.39 897.35 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.01 367.83 411.06 452.70 465.10 850.06 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.75 403.85 416.03 469.11 493.19 794.62 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.95 420.14 422.45 473.54 549.18 733.44 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.40 423.00 427.65 475.33 604.50 678.99 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.63 417.15 429.08 476.87 577.79 706.11 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.65 407.80 420.80 475.43 517.86 769.07 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.21 390.58 400.53 461.61 481.20 829.30 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.92 340.66 398.88 439.39 465.91 882.18 -------------------------------------------------------------------------------- K point *** = 0.343750 0.156250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 292.00 402.91 417.83 447.39 925.70 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 256.77 280.89 400.52 416.06 428.56 941.44 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 231.34 278.06 380.81 394.49 431.86 965.85 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 211.82 276.82 374.47 377.89 430.94 980.85 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 207.07 263.74 368.93 393.20 424.72 984.32 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 220.53 252.00 376.62 407.93 426.60 974.09 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 244.05 261.39 393.18 401.82 450.87 949.57 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 263.04 304.81 389.27 421.92 471.89 911.88 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.08 360.05 386.84 446.42 486.77 862.90 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.04 390.85 410.14 470.53 502.59 804.83 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.77 401.45 433.64 480.61 547.37 740.64 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.26 414.23 435.70 479.47 604.13 680.44 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.81 424.11 426.62 475.43 583.72 698.62 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.38 410.29 427.35 470.12 522.49 759.31 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.48 383.10 424.42 462.53 474.99 816.80 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.79 344.33 421.24 444.36 453.73 866.86 -------------------------------------------------------------------------------- K point *** = 0.343750 0.218750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.81 306.38 420.05 425.35 437.59 908.45 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.31 287.77 407.44 430.13 436.23 919.19 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 255.26 281.25 391.18 414.36 433.55 944.30 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 234.14 270.78 391.22 399.12 426.21 963.52 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 220.53 252.00 376.62 407.93 426.60 974.09 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 220.59 238.44 369.98 395.51 455.88 971.61 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 237.55 242.02 375.41 386.17 485.01 953.24 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 253.34 281.74 369.84 404.42 507.59 919.15 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 275.08 337.75 366.35 432.78 522.20 871.42 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.07 369.86 396.08 462.77 532.51 812.79 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.36 381.96 436.52 484.00 557.76 746.36 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 325.74 398.90 451.60 484.32 610.29 678.03 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.02 415.79 442.97 480.62 595.37 685.87 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.14 418.26 429.20 475.20 531.43 746.54 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.22 382.21 436.84 464.29 483.48 802.09 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.30 339.99 438.10 451.35 455.10 849.34 -------------------------------------------------------------------------------- K point *** = 0.343750 0.281250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.71 307.43 430.76 436.58 442.17 888.03 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.87 298.55 427.93 439.53 440.31 892.28 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.07 294.53 412.98 430.02 433.90 915.66 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.50 283.72 410.55 417.00 427.80 935.41 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 244.05 261.39 393.18 401.82 450.87 949.57 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 237.55 242.02 375.41 386.17 485.01 953.24 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 241.19 241.19 372.03 372.03 517.17 941.96 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 254.19 267.02 361.59 386.67 542.13 914.26 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 272.90 314.90 357.18 414.13 558.01 871.37 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.10 361.08 371.62 447.38 566.57 815.88 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.45 373.88 420.89 477.83 578.35 750.85 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.33 392.19 452.49 485.97 614.75 679.77 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 325.77 411.04 461.59 476.88 607.22 671.33 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.66 427.01 434.90 478.91 540.52 730.21 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.08 394.65 438.33 473.83 491.34 783.40 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.20 349.85 444.20 457.33 467.61 828.08 -------------------------------------------------------------------------------- K point *** = 0.343750 0.343750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.87 314.89 444.49 445.60 448.73 863.89 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.08 324.10 442.31 447.59 450.74 859.00 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.89 323.30 429.72 437.06 446.43 879.55 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.78 322.20 411.12 432.51 448.39 897.35 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 263.04 304.81 389.27 421.92 471.89 911.88 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 253.34 281.74 369.84 404.42 507.59 919.15 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 254.19 267.02 361.59 386.67 542.13 914.26 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 264.39 272.91 367.99 375.25 569.45 894.31 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.74 304.34 364.35 396.19 586.99 859.15 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.10 349.37 367.56 429.25 595.19 810.62 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.51 378.30 398.51 463.25 599.53 751.76 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.05 397.55 435.96 483.02 613.72 687.83 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.35 417.30 460.66 475.24 606.15 665.90 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.76 433.44 446.65 475.48 545.55 711.64 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.68 405.75 446.42 479.23 495.63 759.36 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.18 363.72 451.44 463.75 476.89 800.56 -------------------------------------------------------------------------------- K point *** = 0.343750 0.406250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.26 337.58 447.53 453.19 465.84 833.49 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.09 365.59 440.67 461.34 472.81 817.48 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.41 360.67 432.01 456.46 462.77 835.17 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.01 367.83 411.06 452.70 465.10 850.06 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.08 360.05 386.84 446.42 486.77 862.90 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 275.08 337.75 366.35 432.78 522.20 871.42 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 272.90 314.90 357.18 414.13 558.01 871.37 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.74 304.34 364.35 396.19 586.99 859.15 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.02 317.89 379.69 391.00 605.94 833.30 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.06 346.41 380.51 419.63 614.33 794.65 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.42 379.66 392.87 451.34 614.71 746.00 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.94 407.89 418.54 473.77 612.39 694.53 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.75 430.75 443.42 476.18 594.19 670.22 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.41 439.41 454.68 472.15 545.19 693.80 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 369.50 412.91 464.38 478.28 499.15 730.38 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.12 390.22 457.46 477.86 481.59 765.50 -------------------------------------------------------------------------------- K point *** = 0.343750 0.468750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.45 378.31 444.63 471.00 479.99 794.75 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.25 408.59 433.18 474.69 508.96 767.06 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.94 397.51 432.42 467.03 500.12 782.47 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.75 403.85 416.03 469.11 493.19 794.62 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.04 390.85 410.14 470.53 502.59 804.83 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.07 369.86 396.08 462.77 532.51 812.79 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.10 361.08 371.62 447.38 566.57 815.88 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.10 349.37 367.56 429.25 595.19 810.62 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.06 346.41 380.51 419.63 614.33 794.65 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.00 365.21 384.92 433.83 622.81 767.67 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.49 387.89 394.88 457.62 621.66 731.93 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.94 407.89 418.54 473.77 612.39 694.53 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 358.44 433.96 438.09 474.93 589.17 673.59 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.03 438.76 459.96 471.03 551.70 679.61 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.09 428.97 467.57 473.07 524.38 699.73 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.79 427.75 450.50 477.23 519.25 724.05 -------------------------------------------------------------------------------- K point *** = 0.343750 0.531250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.90 422.28 435.87 478.91 516.09 747.39 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.05 420.28 441.62 479.64 567.85 708.92 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.03 423.81 426.26 475.44 557.28 723.04 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.95 420.14 422.45 473.54 549.18 733.44 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.77 401.45 433.64 480.61 547.37 740.64 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.36 381.96 436.52 484.00 557.76 746.36 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.45 373.88 420.89 477.83 578.35 750.85 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.51 378.30 398.51 463.25 599.53 751.76 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.42 379.66 392.87 451.34 614.71 746.00 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.49 387.89 394.88 457.62 621.66 731.93 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.81 389.69 413.73 474.04 621.00 710.66 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.05 397.55 435.96 483.02 613.72 687.83 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.94 417.10 449.02 479.86 597.33 674.19 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.01 440.29 445.22 474.32 577.08 672.55 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 366.66 440.16 450.42 471.64 569.35 675.92 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.25 432.88 456.47 471.57 574.08 682.23 -------------------------------------------------------------------------------- K point *** = 0.343750 0.593750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.45 421.46 458.22 474.10 575.44 693.71 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.31 403.33 457.86 481.79 632.08 652.88 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.78 413.73 440.55 480.76 614.10 669.72 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.40 423.00 427.65 475.33 604.50 678.99 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.26 414.23 435.70 479.47 604.13 680.44 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 325.74 398.90 451.60 484.32 610.29 678.03 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.33 392.19 452.49 485.97 614.75 679.77 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.05 397.55 435.96 483.02 613.72 687.83 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.94 407.89 418.54 473.77 612.39 694.53 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.94 407.89 418.54 473.77 612.39 694.53 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.05 397.55 435.96 483.02 613.72 687.83 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.33 392.19 452.49 485.97 614.75 679.77 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 325.74 398.90 451.60 484.32 610.29 678.03 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.26 414.23 435.70 479.47 604.13 680.44 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.40 423.00 427.65 475.33 604.50 678.99 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.78 413.73 440.55 480.76 614.10 669.72 -------------------------------------------------------------------------------- K point *** = 0.343750 0.656250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.31 403.33 457.86 481.79 632.08 652.88 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.55 384.77 445.42 486.69 587.18 713.56 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 398.23 443.62 483.80 579.07 709.95 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.63 417.15 429.08 476.87 577.79 706.11 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.81 424.11 426.62 475.43 583.72 698.62 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.02 415.79 442.97 480.62 595.37 685.87 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 325.77 411.04 461.59 476.88 607.22 671.33 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.35 417.30 460.66 475.24 606.15 665.90 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.75 430.75 443.42 476.18 594.19 670.22 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 358.44 433.96 438.09 474.93 589.17 673.59 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.94 417.10 449.02 479.86 597.33 674.19 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 325.74 398.90 451.60 484.32 610.29 678.03 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.83 391.32 436.24 484.34 617.05 690.79 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.64 394.75 414.65 473.80 618.63 706.38 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 395.47 404.61 463.53 616.51 717.12 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.17 392.36 409.13 469.63 609.60 720.54 -------------------------------------------------------------------------------- K point *** = 0.343750 0.718750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.37 383.84 429.46 482.05 598.70 718.08 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.09 368.97 409.88 471.02 555.82 782.90 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.12 384.21 425.13 478.35 528.77 777.02 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.65 407.80 420.80 475.43 517.86 769.07 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.38 410.29 427.35 470.12 522.49 759.31 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.14 418.26 429.20 475.20 531.43 746.54 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.66 427.01 434.90 478.91 540.52 730.21 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.76 433.44 446.65 475.48 545.55 711.64 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.41 439.41 454.68 472.15 545.19 693.80 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.03 438.76 459.96 471.03 551.70 679.61 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.01 440.29 445.22 474.32 577.08 672.55 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.26 414.23 435.70 479.47 604.13 680.44 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.64 394.75 414.65 473.80 618.63 706.38 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.20 387.47 389.49 455.99 623.78 737.05 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.61 367.87 387.39 438.22 620.50 762.14 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 364.48 379.96 439.48 607.40 777.98 -------------------------------------------------------------------------------- K point *** = 0.343750 0.781250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.31 367.33 386.09 455.50 584.79 784.27 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.31 354.94 361.09 439.67 545.51 845.25 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.96 374.95 380.60 454.29 509.27 839.65 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.21 390.58 400.53 461.61 481.20 829.30 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.48 383.10 424.42 462.53 474.99 816.80 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.22 382.21 436.84 464.29 483.48 802.09 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.08 394.65 438.33 473.83 491.34 783.40 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.68 405.75 446.42 479.23 495.63 759.36 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 369.50 412.91 464.38 478.28 499.15 730.38 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.09 428.97 467.57 473.07 524.38 699.73 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 366.66 440.16 450.42 471.64 569.35 675.92 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.40 423.00 427.65 475.33 604.50 678.99 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 328.15 395.47 404.61 463.53 616.51 717.12 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.61 367.87 387.39 438.22 620.50 762.14 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.23 341.38 382.26 411.10 616.95 800.36 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.03 325.27 372.18 405.36 603.08 827.49 -------------------------------------------------------------------------------- K point *** = 0.343750 0.843750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 284.48 332.72 359.34 420.87 578.56 842.17 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 262.10 297.49 360.99 408.71 534.11 897.27 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.09 320.55 376.37 426.87 497.33 893.76 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.92 340.66 398.88 439.39 465.91 882.18 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.79 344.33 421.24 444.36 453.73 866.86 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.30 339.99 438.10 451.35 455.10 849.34 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.20 349.85 444.20 457.33 467.61 828.08 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.18 363.72 451.44 463.75 476.89 800.56 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.12 390.22 457.46 477.86 481.59 765.50 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.79 427.75 450.50 477.23 519.25 724.05 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.25 432.88 456.47 471.57 574.08 682.23 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.78 413.73 440.55 480.76 614.10 669.72 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.17 392.36 409.13 469.63 609.60 720.54 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 364.48 379.96 439.48 607.40 777.98 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.03 325.27 372.18 405.36 603.08 827.49 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 275.63 294.76 376.14 377.33 589.97 865.02 -------------------------------------------------------------------------------- K point *** = 0.343750 0.906250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 284.46 360.30 390.44 566.48 888.39 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 244.08 252.52 367.85 384.49 514.67 936.03 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 247.69 268.84 382.07 401.34 479.39 936.61 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 292.00 402.91 417.83 447.39 925.70 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 277.81 306.38 420.05 425.35 437.59 908.45 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.71 307.43 430.76 436.58 442.17 888.03 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.87 314.89 444.49 445.60 448.73 863.89 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.26 337.58 447.53 453.19 465.84 833.49 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.45 378.31 444.63 471.00 479.99 794.75 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.90 422.28 435.87 478.91 516.09 747.39 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.45 421.46 458.22 474.10 575.44 693.71 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.31 403.33 457.86 481.79 632.08 652.88 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.37 383.84 429.46 482.05 598.70 718.08 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 301.31 367.33 386.09 455.50 584.79 784.27 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 284.48 332.72 359.34 420.87 578.56 842.17 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 266.49 284.46 360.30 390.44 566.48 888.39 -------------------------------------------------------------------------------- K point *** = 0.343750 0.968750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 252.75 254.28 366.83 373.49 544.94 920.20 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 261.27 264.19 361.50 371.86 572.70 900.02 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.72 273.47 369.83 387.96 539.23 908.74 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.35 296.53 390.10 407.60 500.82 904.31 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.01 320.07 411.72 426.56 466.20 891.62 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.16 329.31 429.42 438.52 449.75 875.86 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.08 324.10 442.31 447.59 450.74 859.00 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.77 328.06 448.87 450.41 465.15 839.08 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.17 347.76 451.68 457.85 477.16 812.86 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.69 387.04 447.40 478.60 484.09 778.43 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.72 430.01 437.53 479.42 520.86 736.68 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.45 421.46 458.22 474.10 575.44 693.71 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.45 402.28 440.90 483.69 617.54 678.40 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.98 382.02 406.83 469.33 615.90 727.40 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.01 360.55 366.75 435.46 614.54 786.01 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.74 314.50 357.64 400.07 610.38 837.08 -------------------------------------------------------------------------------- K point *** = 0.406250 0.031250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 271.27 278.50 359.65 373.66 596.93 875.93 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 258.72 273.47 369.83 387.96 539.23 908.74 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 247.95 277.38 361.81 403.45 510.00 924.43 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 248.79 296.44 369.81 419.74 476.48 925.89 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 261.17 317.03 388.78 429.63 449.55 916.37 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.41 324.89 410.74 427.62 445.79 900.10 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.89 323.30 429.72 437.06 446.43 879.55 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.76 334.80 439.96 448.41 454.76 854.31 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 330.46 353.50 445.47 458.19 467.46 822.51 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.91 383.61 451.08 472.21 477.86 782.76 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 352.12 421.89 446.97 476.87 514.76 735.17 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.25 432.88 456.47 471.57 574.08 682.23 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.17 415.82 456.13 478.48 625.87 646.90 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.50 396.42 428.99 480.04 591.39 713.25 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.38 378.67 389.86 456.72 577.87 777.56 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.01 339.13 374.21 424.13 571.79 833.50 -------------------------------------------------------------------------------- K point *** = 0.406250 0.093750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 272.47 297.36 376.27 393.44 560.08 878.02 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 265.35 296.53 390.10 407.60 500.82 904.31 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 248.79 296.44 369.81 419.74 476.48 925.89 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 239.37 313.88 362.28 428.07 452.04 934.47 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 243.84 329.48 369.83 420.23 446.10 931.29 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 327.40 388.55 422.40 445.83 918.41 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.78 322.20 411.12 432.51 448.39 897.35 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 294.54 337.49 426.61 437.37 462.37 868.45 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.13 365.11 429.53 453.63 474.51 831.42 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.27 395.05 437.85 469.94 483.52 786.21 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.53 421.23 447.82 474.88 513.52 733.59 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 366.66 440.16 450.42 471.64 569.35 675.92 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.96 436.75 453.08 472.91 610.99 641.44 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.00 420.88 440.05 479.07 563.79 705.18 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.07 404.20 410.28 469.35 537.47 768.09 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.27 365.48 397.91 445.21 528.65 823.83 -------------------------------------------------------------------------------- K point *** = 0.406250 0.156250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.35 324.28 398.69 417.37 518.39 869.87 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.01 320.07 411.72 426.56 466.20 891.62 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 261.17 317.03 388.78 429.63 449.55 916.37 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 243.84 329.48 369.83 420.23 446.10 931.29 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 237.55 330.28 362.40 419.69 446.23 935.96 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 245.53 314.55 369.82 428.41 451.27 929.67 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 263.04 304.81 389.27 421.92 471.89 911.88 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.18 320.66 410.16 417.61 491.16 882.56 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.83 355.57 408.74 441.03 504.01 842.36 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.14 395.65 413.84 463.37 512.55 792.50 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.51 426.34 428.71 476.70 531.75 734.80 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.01 440.29 445.22 474.32 577.08 672.55 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 370.38 443.36 451.61 470.01 598.93 645.90 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 363.83 434.53 444.61 474.80 543.29 704.02 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.43 413.90 432.34 473.49 504.15 762.05 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 319.78 381.04 422.00 458.00 491.26 813.78 -------------------------------------------------------------------------------- K point *** = 0.406250 0.218750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.53 346.27 419.06 438.21 481.31 857.28 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.16 329.31 429.42 438.52 449.75 875.86 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.41 324.89 410.74 427.62 445.79 900.10 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 260.12 327.40 388.55 422.40 445.83 918.41 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 245.53 314.55 369.82 428.41 451.27 929.67 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 242.91 293.99 362.06 419.07 478.20 930.92 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 253.34 281.74 369.84 404.42 507.59 919.15 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.16 294.27 390.62 392.31 530.90 893.11 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.61 330.58 385.34 420.14 545.76 853.46 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 375.18 389.14 450.53 553.72 802.02 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.86 399.11 420.18 475.21 564.48 741.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.94 417.10 449.02 479.86 597.33 674.19 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.26 434.04 458.33 470.77 604.64 650.12 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.07 433.33 448.57 474.16 539.84 706.88 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 354.83 403.89 450.00 474.83 490.61 760.16 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.90 373.76 442.29 465.11 471.48 806.57 -------------------------------------------------------------------------------- K point *** = 0.406250 0.281250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.63 349.17 435.63 450.43 462.49 845.04 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.08 324.10 442.31 447.59 450.74 859.00 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.89 323.30 429.72 437.06 446.43 879.55 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.78 322.20 411.12 432.51 448.39 897.35 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 263.04 304.81 389.27 421.92 471.89 911.88 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 253.34 281.74 369.84 404.42 507.59 919.15 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 254.19 267.02 361.59 386.67 542.13 914.26 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 264.39 272.91 367.99 375.25 569.45 894.31 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.74 304.34 364.35 396.19 586.99 859.15 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.10 349.37 367.56 429.25 595.19 810.62 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.51 378.30 398.51 463.25 599.53 751.76 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.05 397.55 435.96 483.02 613.72 687.83 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.35 417.30 460.66 475.24 606.15 665.90 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.76 433.44 446.65 475.48 545.55 711.64 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.68 405.75 446.42 479.23 495.63 759.36 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.18 363.72 451.44 463.75 476.89 800.56 -------------------------------------------------------------------------------- K point *** = 0.406250 0.343750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.26 337.58 447.53 453.19 465.84 833.49 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.77 328.06 448.87 450.41 465.15 839.08 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.76 334.80 439.96 448.41 454.76 854.31 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 294.54 337.49 426.61 437.37 462.37 868.45 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.18 320.66 410.16 417.61 491.16 882.56 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.16 294.27 390.62 392.31 530.90 893.11 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 264.39 272.91 367.99 375.25 569.45 894.31 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.79 268.79 361.64 361.64 600.37 881.77 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.44 288.26 354.64 375.67 620.46 854.19 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.11 326.96 357.41 405.50 628.91 812.98 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.50 370.46 372.75 442.60 627.74 761.97 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.81 389.69 413.73 474.04 621.00 710.66 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.68 410.05 443.21 482.20 596.37 691.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.21 428.12 446.94 476.61 546.50 717.75 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.76 411.60 441.85 482.58 500.52 756.34 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.81 368.98 450.11 469.44 483.95 791.60 -------------------------------------------------------------------------------- K point *** = 0.406250 0.406250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.48 337.96 452.43 454.32 477.37 819.14 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.17 347.76 451.68 457.85 477.16 812.86 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 330.46 353.50 445.47 458.19 467.46 822.51 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.13 365.11 429.53 453.63 474.51 831.42 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.83 355.57 408.74 441.03 504.01 842.36 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.61 330.58 385.34 420.14 545.76 853.46 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.74 304.34 364.35 396.19 586.99 859.15 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.44 288.26 354.64 375.67 620.46 854.19 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.54 293.85 363.02 363.16 642.19 836.17 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 293.45 316.99 362.05 388.49 650.06 805.98 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.49 351.94 373.69 423.51 643.33 767.95 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.49 387.89 394.88 457.62 621.66 731.93 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.33 412.72 422.45 476.94 584.84 714.50 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.89 431.09 436.08 477.62 539.69 724.25 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.97 410.95 448.51 481.48 499.10 749.73 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.97 374.02 457.73 470.39 485.99 776.77 -------------------------------------------------------------------------------- K point *** = 0.406250 0.468750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.78 354.57 454.57 461.29 484.59 798.32 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.69 387.04 447.40 478.60 484.09 778.43 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.91 383.61 451.08 472.21 477.86 782.76 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.27 395.05 437.85 469.94 483.52 786.21 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.14 395.65 413.84 463.37 512.55 792.50 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 375.18 389.14 450.53 553.72 802.02 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.10 349.37 367.56 429.25 595.19 810.62 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.11 326.96 357.41 405.50 628.91 812.98 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 293.45 316.99 362.05 388.49 650.06 805.98 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.60 328.85 366.20 396.39 655.43 789.85 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.49 351.94 373.69 423.51 643.33 767.95 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.42 379.66 392.87 451.34 614.71 746.00 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.74 408.95 415.00 469.41 574.51 731.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.57 423.06 439.17 473.94 531.62 729.89 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.47 409.85 459.32 477.37 496.05 740.81 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.29 393.57 460.79 481.40 482.90 756.38 -------------------------------------------------------------------------------- K point *** = 0.406250 0.531250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.81 391.51 448.84 483.35 485.34 769.87 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.72 430.01 437.53 479.42 520.86 736.68 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 352.12 421.89 446.97 476.87 514.76 735.17 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.53 421.23 447.82 474.88 513.52 733.59 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.51 426.34 428.71 476.70 531.75 734.80 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.86 399.11 420.18 475.21 564.48 741.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.51 378.30 398.51 463.25 599.53 751.76 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.50 370.46 372.75 442.60 627.74 761.97 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.49 351.94 373.69 423.51 643.33 767.95 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.49 351.94 373.69 423.51 643.33 767.95 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.50 370.46 372.75 442.60 627.74 761.97 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.51 378.30 398.51 463.25 599.53 751.76 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.86 399.11 420.18 475.21 564.48 741.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.51 426.34 428.71 476.70 531.75 734.80 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.53 421.23 447.82 474.88 513.52 733.59 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 352.12 421.89 446.97 476.87 514.76 735.17 -------------------------------------------------------------------------------- K point *** = 0.406250 0.593750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.72 430.01 437.53 479.42 520.86 736.68 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.45 421.46 458.22 474.10 575.44 693.71 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.25 432.88 456.47 471.57 574.08 682.23 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 366.66 440.16 450.42 471.64 569.35 675.92 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.01 440.29 445.22 474.32 577.08 672.55 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 343.94 417.10 449.02 479.86 597.33 674.19 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.05 397.55 435.96 483.02 613.72 687.83 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.81 389.69 413.73 474.04 621.00 710.66 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.49 387.89 394.88 457.62 621.66 731.93 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.42 379.66 392.87 451.34 614.71 746.00 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.51 378.30 398.51 463.25 599.53 751.76 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.45 373.88 420.89 477.83 578.35 750.85 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.36 381.96 436.52 484.00 557.76 746.36 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.77 401.45 433.64 480.61 547.37 740.64 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.95 420.14 422.45 473.54 549.18 733.44 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.03 423.81 426.26 475.44 557.28 723.04 -------------------------------------------------------------------------------- K point *** = 0.406250 0.656250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.05 420.28 441.62 479.64 567.85 708.92 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 322.45 402.28 440.90 483.69 617.54 678.40 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.17 415.82 456.13 478.48 625.87 646.90 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.96 436.75 453.08 472.91 610.99 641.44 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 370.38 443.36 451.61 470.01 598.93 645.90 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.26 434.04 458.33 470.77 604.64 650.12 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.35 417.30 460.66 475.24 606.15 665.90 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 323.68 410.05 443.21 482.20 596.37 691.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.33 412.72 422.45 476.94 584.84 714.50 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.74 408.95 415.00 469.41 574.51 731.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.86 399.11 420.18 475.21 564.48 741.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 314.36 381.96 436.52 484.00 557.76 746.36 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.18 374.67 437.48 485.29 561.39 748.65 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.42 380.80 420.59 477.07 574.75 748.17 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.04 393.07 403.53 464.91 589.46 742.69 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.83 398.03 405.48 464.15 600.68 729.66 -------------------------------------------------------------------------------- K point *** = 0.406250 0.718750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.70 400.24 418.99 476.65 608.93 707.87 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.98 382.02 406.83 469.33 615.90 727.40 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.50 396.42 428.99 480.04 591.39 713.25 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.00 420.88 440.05 479.07 563.79 705.18 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 363.83 434.53 444.61 474.80 543.29 704.02 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.07 433.33 448.57 474.16 539.84 706.88 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.76 433.44 446.65 475.48 545.55 711.64 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.21 428.12 446.94 476.61 546.50 717.75 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.89 431.09 436.08 477.62 539.69 724.25 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.57 423.06 439.17 473.94 531.62 729.89 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.51 426.34 428.71 476.70 531.75 734.80 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.77 401.45 433.64 480.61 547.37 740.64 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.42 380.80 420.59 477.07 574.75 748.17 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.92 372.41 397.34 462.92 603.07 755.13 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.55 370.82 379.91 444.50 624.33 757.75 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.56 364.90 383.96 436.75 634.29 753.53 -------------------------------------------------------------------------------- K point *** = 0.406250 0.781250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.30 378.50 383.83 450.21 631.26 742.51 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.01 360.55 366.75 435.46 614.54 786.01 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.38 378.67 389.86 456.72 577.87 777.56 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.07 404.20 410.28 469.35 537.47 768.09 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.43 413.90 432.34 473.49 504.15 762.05 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 354.83 403.89 450.00 474.83 490.61 760.16 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.68 405.75 446.42 479.23 495.63 759.36 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.76 411.60 441.85 482.58 500.52 756.34 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.97 410.95 448.51 481.48 499.10 749.73 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.47 409.85 459.32 477.37 496.05 740.81 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.53 421.23 447.82 474.88 513.52 733.59 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.95 420.14 422.45 473.54 549.18 733.44 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.04 393.07 403.53 464.91 589.46 742.69 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.55 370.82 379.91 444.50 624.33 757.75 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.08 349.62 368.29 419.47 646.58 772.99 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.39 333.50 368.51 403.55 652.22 784.25 -------------------------------------------------------------------------------- K point *** = 0.406250 0.843750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.05 339.74 363.59 413.08 640.76 788.88 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.74 314.50 357.64 400.07 610.38 837.08 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.01 339.13 374.21 424.13 571.79 833.50 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.27 365.48 397.91 445.21 528.65 823.83 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 319.78 381.04 422.00 458.00 491.26 813.78 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.90 373.76 442.29 465.11 471.48 806.57 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.18 363.72 451.44 463.75 476.89 800.56 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.81 368.98 450.11 469.44 483.95 791.60 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.97 374.02 457.73 470.39 485.99 776.77 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.29 393.57 460.79 481.40 482.90 756.38 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 352.12 421.89 446.97 476.87 514.76 735.17 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.03 423.81 426.26 475.44 557.28 723.04 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.83 398.03 405.48 464.15 600.68 729.66 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.56 364.90 383.96 436.75 634.29 753.53 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 299.39 333.50 368.51 403.55 652.22 784.25 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.04 310.43 364.39 376.55 653.38 811.85 -------------------------------------------------------------------------------- K point *** = 0.406250 0.906250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.86 301.74 356.01 379.95 638.73 830.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 271.27 278.50 359.65 373.66 596.93 875.93 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 272.47 297.36 376.27 393.44 560.08 878.02 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 281.35 324.28 398.69 417.37 518.39 869.87 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.53 346.27 419.06 438.21 481.31 857.28 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.63 349.17 435.63 450.43 462.49 845.04 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 326.26 337.58 447.53 453.19 465.84 833.49 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.48 337.96 452.43 454.32 477.37 819.14 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.78 354.57 454.57 461.29 484.59 798.32 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.81 391.51 448.84 483.35 485.34 769.87 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.72 430.01 437.53 479.42 520.86 736.68 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.05 420.28 441.62 479.64 567.85 708.92 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.70 400.24 418.99 476.65 608.93 707.87 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 308.30 378.50 383.83 450.21 631.26 742.51 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.05 339.74 363.59 413.08 640.76 788.88 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.86 301.74 356.01 379.95 638.73 830.24 -------------------------------------------------------------------------------- K point *** = 0.406250 0.968750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.35 279.40 358.22 362.12 623.97 860.11 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 282.87 284.46 353.66 360.93 646.00 841.86 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.72 296.50 363.50 377.82 616.73 848.78 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.01 322.21 383.97 403.71 576.82 844.75 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.42 350.94 405.46 431.96 532.06 834.37 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.51 369.98 424.84 451.85 492.80 824.01 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.09 365.59 440.67 461.34 472.81 817.48 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.17 347.76 451.68 457.85 477.16 812.86 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 340.94 344.57 454.95 457.11 485.42 805.16 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 346.08 357.98 456.05 463.13 488.26 790.81 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.81 391.51 448.84 483.35 485.34 769.87 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.90 422.28 435.87 478.91 516.09 747.39 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.23 418.00 421.59 476.97 558.42 734.13 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.05 394.61 398.23 461.12 603.57 740.35 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.28 358.71 377.34 427.90 639.53 764.09 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.33 321.62 361.10 391.12 659.17 794.94 -------------------------------------------------------------------------------- K point *** = 0.468750 0.031250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.70 294.45 354.69 363.55 660.95 823.01 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 280.72 296.50 363.50 377.82 616.73 848.78 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.02 298.48 355.89 394.37 590.51 864.23 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.83 318.43 365.38 415.41 554.84 866.66 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.51 343.74 386.24 435.25 514.74 859.38 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.64 362.08 410.38 448.57 480.04 847.54 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.41 360.67 432.01 456.46 462.77 835.17 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 330.46 353.50 445.47 458.19 467.46 822.51 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.57 361.28 447.66 464.35 477.48 806.73 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.37 370.57 455.61 468.03 483.01 784.93 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.29 393.57 460.79 481.40 482.90 756.38 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.79 427.75 450.50 477.23 519.25 724.05 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.18 430.51 441.82 476.72 566.75 697.62 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.99 409.25 421.10 475.77 606.39 697.85 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.16 382.38 392.96 454.15 625.79 733.48 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.70 347.56 374.71 420.73 633.64 779.44 -------------------------------------------------------------------------------- K point *** = 0.468750 0.093750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 289.35 316.20 369.51 387.85 631.18 819.79 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.01 322.21 383.97 403.71 576.82 844.75 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 276.83 318.43 365.38 415.41 554.84 866.66 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 270.33 336.23 358.33 432.10 524.85 875.76 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.76 359.48 367.23 445.67 491.97 873.97 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.32 373.71 387.04 451.31 468.61 864.49 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.01 367.83 411.06 452.70 465.10 850.06 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.13 365.11 429.53 453.63 474.51 831.42 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.39 379.25 435.07 463.46 484.38 807.61 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.09 395.93 442.48 473.49 490.20 777.43 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.47 409.85 459.32 477.37 496.05 740.81 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.09 428.97 467.57 473.07 524.38 699.73 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 372.02 446.63 459.20 466.79 575.93 660.16 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.65 432.13 441.71 475.63 608.68 655.16 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.10 408.64 415.66 471.48 598.22 709.13 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.41 378.71 396.08 449.55 594.12 763.78 -------------------------------------------------------------------------------- K point *** = 0.468750 0.156250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.09 346.88 389.76 420.55 589.30 809.97 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.42 350.94 405.46 431.96 532.06 834.37 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.51 343.74 386.24 435.25 514.74 859.38 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.76 359.48 367.23 445.67 491.97 873.97 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 267.56 359.63 378.94 451.39 472.53 878.87 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.05 367.27 377.65 451.26 471.45 875.01 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.08 360.05 386.84 446.42 486.77 862.90 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.83 355.57 408.74 441.03 504.01 842.36 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 306.66 373.61 418.35 450.38 516.13 813.09 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.50 399.42 424.05 466.38 523.37 775.23 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.57 423.06 439.17 473.94 531.62 729.89 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.03 438.76 459.96 471.03 551.70 679.61 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 388.34 450.86 459.89 471.23 591.91 629.22 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.92 448.00 458.06 468.18 586.61 645.64 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.57 431.18 437.33 474.30 559.85 701.83 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.87 405.33 418.87 467.75 548.46 754.12 -------------------------------------------------------------------------------- K point *** = 0.468750 0.218750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.36 376.06 410.61 449.29 542.26 798.96 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.51 369.98 424.84 451.85 492.80 824.01 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 302.64 362.08 410.38 448.57 480.04 847.54 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.32 373.71 387.04 451.31 468.61 864.49 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 273.05 367.27 377.65 451.26 471.45 875.01 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 268.50 359.18 359.80 445.50 493.89 878.01 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 275.08 337.75 366.35 432.78 522.20 871.42 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.61 330.58 385.34 420.14 545.76 853.46 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 294.26 348.26 399.14 424.43 561.20 823.49 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.89 377.69 402.62 448.91 568.99 782.18 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.74 408.95 415.00 469.41 574.51 731.24 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 358.44 433.96 438.09 474.93 589.17 673.59 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.17 451.03 458.52 465.59 608.05 625.91 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 384.72 441.31 466.64 470.16 556.25 665.55 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 371.88 426.27 460.36 474.21 520.54 711.81 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.79 411.36 440.82 473.82 507.83 755.50 -------------------------------------------------------------------------------- K point *** = 0.468750 0.281250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.78 390.87 429.50 465.03 501.48 793.33 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.09 365.59 440.67 461.34 472.81 817.48 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.41 360.67 432.01 456.46 462.77 835.17 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.01 367.83 411.06 452.70 465.10 850.06 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.08 360.05 386.84 446.42 486.77 862.90 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 275.08 337.75 366.35 432.78 522.20 871.42 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 272.90 314.90 357.18 414.13 558.01 871.37 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.74 304.34 364.35 396.19 586.99 859.15 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.02 317.89 379.69 391.00 605.94 833.30 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.06 346.41 380.51 419.63 614.33 794.65 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.42 379.66 392.87 451.34 614.71 746.00 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.94 407.89 418.54 473.77 612.39 694.53 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.75 430.75 443.42 476.18 594.19 670.22 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.41 439.41 454.68 472.15 545.19 693.80 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 369.50 412.91 464.38 478.28 499.15 730.38 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.12 390.22 457.46 477.86 481.59 765.50 -------------------------------------------------------------------------------- K point *** = 0.468750 0.343750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.45 378.31 444.63 471.00 479.99 794.75 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 336.17 347.76 451.68 457.85 477.16 812.86 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 330.46 353.50 445.47 458.19 467.46 822.51 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.13 365.11 429.53 453.63 474.51 831.42 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 298.83 355.57 408.74 441.03 504.01 842.36 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 285.61 330.58 385.34 420.14 545.76 853.46 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 278.74 304.34 364.35 396.19 586.99 859.15 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 279.44 288.26 354.64 375.67 620.46 854.19 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.54 293.85 363.02 363.16 642.19 836.17 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 293.45 316.99 362.05 388.49 650.06 805.98 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.49 351.94 373.69 423.51 643.33 767.95 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.49 387.89 394.88 457.62 621.66 731.93 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.33 412.72 422.45 476.94 584.84 714.50 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.89 431.09 436.08 477.62 539.69 724.25 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.97 410.95 448.51 481.48 499.10 749.73 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.97 374.02 457.73 470.39 485.99 776.77 -------------------------------------------------------------------------------- K point *** = 0.468750 0.406250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.78 354.57 454.57 461.29 484.59 798.32 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 340.94 344.57 454.95 457.11 485.42 805.16 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 332.57 361.28 447.66 464.35 477.48 806.73 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.39 379.25 435.07 463.46 484.38 807.61 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 306.66 373.61 418.35 450.38 516.13 813.09 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 294.26 348.26 399.14 424.43 561.20 823.49 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.02 317.89 379.69 391.00 605.94 833.30 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 283.54 293.85 363.02 363.16 642.19 836.17 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 286.00 286.00 353.15 353.15 664.75 828.88 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.44 299.07 354.13 365.83 669.85 812.14 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.60 328.85 366.20 396.39 655.43 789.85 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.00 365.21 384.92 433.83 622.81 767.67 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.14 398.19 405.59 463.98 578.13 752.72 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.54 417.31 424.89 476.04 532.22 752.28 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.87 405.71 440.64 480.13 496.94 765.73 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.93 372.86 451.38 472.15 487.13 783.74 -------------------------------------------------------------------------------- K point *** = 0.468750 0.468750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.17 347.87 456.26 458.57 489.40 797.96 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 346.08 357.98 456.05 463.13 488.26 790.81 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.37 370.57 455.61 468.03 483.01 784.93 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.09 395.93 442.48 473.49 490.20 777.43 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.50 399.42 424.05 466.38 523.37 775.23 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.89 377.69 402.62 448.91 568.99 782.18 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.06 346.41 380.51 419.63 614.33 794.65 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 293.45 316.99 362.05 388.49 650.06 805.98 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.44 299.07 354.13 365.83 669.85 812.14 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 290.44 299.07 354.13 365.83 669.85 812.14 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 293.45 316.99 362.05 388.49 650.06 805.98 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.06 346.41 380.51 419.63 614.33 794.65 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.89 377.69 402.62 448.91 568.99 782.18 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.50 399.42 424.05 466.38 523.37 775.23 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.09 395.93 442.48 473.49 490.20 777.43 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.37 370.57 455.61 468.03 483.01 784.93 -------------------------------------------------------------------------------- K point *** = 0.468750 0.531250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 346.08 357.98 456.05 463.13 488.26 790.81 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.81 391.51 448.84 483.35 485.34 769.87 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 360.29 393.57 460.79 481.40 482.90 756.38 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.47 409.85 459.32 477.37 496.05 740.81 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.57 423.06 439.17 473.94 531.62 729.89 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.74 408.95 415.00 469.41 574.51 731.24 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.42 379.66 392.87 451.34 614.71 746.00 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.49 351.94 373.69 423.51 643.33 767.95 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.60 328.85 366.20 396.39 655.43 789.85 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 293.45 316.99 362.05 388.49 650.06 805.98 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.11 326.96 357.41 405.50 628.91 812.98 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.10 349.37 367.56 429.25 595.19 810.62 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 375.18 389.14 450.53 553.72 802.02 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.14 395.65 413.84 463.37 512.55 792.50 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.27 395.05 437.85 469.94 483.52 786.21 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.91 383.61 451.08 472.21 477.86 782.76 -------------------------------------------------------------------------------- K point *** = 0.468750 0.593750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.69 387.04 447.40 478.60 484.09 778.43 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.90 422.28 435.87 478.91 516.09 747.39 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 355.79 427.75 450.50 477.23 519.25 724.05 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.09 428.97 467.57 473.07 524.38 699.73 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.03 438.76 459.96 471.03 551.70 679.61 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 358.44 433.96 438.09 474.93 589.17 673.59 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 335.94 407.89 418.54 473.77 612.39 694.53 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.49 387.89 394.88 457.62 621.66 731.93 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.00 365.21 384.92 433.83 622.81 767.67 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 300.06 346.41 380.51 419.63 614.33 794.65 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.10 349.37 367.56 429.25 595.19 810.62 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.10 361.08 371.62 447.38 566.57 815.88 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.07 369.86 396.08 462.77 532.51 812.79 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.04 390.85 410.14 470.53 502.59 804.83 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.75 403.85 416.03 469.11 493.19 794.62 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.94 397.51 432.42 467.03 500.12 782.47 -------------------------------------------------------------------------------- K point *** = 0.468750 0.656250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.25 408.59 433.18 474.69 508.96 767.06 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.23 418.00 421.59 476.97 558.42 734.13 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 345.18 430.51 441.82 476.72 566.75 697.62 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 372.02 446.63 459.20 466.79 575.93 660.16 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 388.34 450.86 459.89 471.23 591.91 629.22 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 377.17 451.03 458.52 465.59 608.05 625.91 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.75 430.75 443.42 476.18 594.19 670.22 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.33 412.72 422.45 476.94 584.84 714.50 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.14 398.19 405.59 463.98 578.13 752.72 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 310.89 377.69 402.62 448.91 568.99 782.18 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.51 375.18 389.14 450.53 553.72 802.02 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.07 369.86 396.08 462.77 532.51 812.79 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.80 363.07 414.92 473.03 511.70 815.96 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.20 370.78 413.74 472.29 509.28 812.91 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.88 388.49 396.67 462.53 524.33 803.96 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 317.86 385.86 409.32 456.59 539.50 788.29 -------------------------------------------------------------------------------- K point *** = 0.468750 0.718750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.99 399.60 414.76 465.72 550.31 764.99 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 313.05 394.61 398.23 461.12 603.57 740.35 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 331.99 409.25 421.10 475.77 606.39 697.85 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.65 432.13 441.71 475.63 608.68 655.16 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 378.92 448.00 458.06 468.18 586.61 645.64 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 384.72 441.31 466.64 470.16 556.25 665.55 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 364.41 439.41 454.68 472.15 545.19 693.80 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.89 431.09 436.08 477.62 539.69 724.25 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.54 417.31 424.89 476.04 532.22 752.28 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.50 399.42 424.05 466.38 523.37 775.23 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 324.14 395.65 413.84 463.37 512.55 792.50 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 311.04 390.85 410.14 470.53 502.59 804.83 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 297.20 370.78 413.74 472.29 509.28 812.91 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.92 362.37 396.26 462.96 535.41 816.08 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.74 366.79 374.39 448.02 563.24 812.17 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.02 359.07 385.35 435.54 584.79 798.82 -------------------------------------------------------------------------------- K point *** = 0.468750 0.781250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.49 371.15 394.12 441.04 597.84 774.78 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.28 358.71 377.34 427.90 639.53 764.09 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 318.16 382.38 392.96 454.15 625.79 733.48 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 337.10 408.64 415.66 471.48 598.22 709.13 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.57 431.18 437.33 474.30 559.85 701.83 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 371.88 426.27 460.36 474.21 520.54 711.81 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 369.50 412.91 464.38 478.28 499.15 730.38 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.97 410.95 448.51 481.48 499.10 749.73 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 334.87 405.71 440.64 480.13 496.94 765.73 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 338.09 395.93 442.48 473.49 490.20 777.43 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.27 395.05 437.85 469.94 483.52 786.21 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 327.75 403.85 416.03 469.11 493.19 794.62 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 309.88 388.49 396.67 462.53 524.33 803.96 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.74 366.79 374.39 448.02 563.24 812.17 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 292.21 347.65 359.34 427.54 598.80 814.86 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.00 331.03 364.88 408.47 625.15 808.19 -------------------------------------------------------------------------------- K point *** = 0.468750 0.843750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.93 336.86 373.89 405.78 639.20 790.75 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.33 321.62 361.10 391.12 659.17 794.94 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 303.70 347.56 374.71 420.73 633.64 779.44 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 315.41 378.71 396.08 449.55 594.12 763.78 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.87 405.33 418.87 467.75 548.46 754.12 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.79 411.36 440.82 473.82 507.83 755.50 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 356.12 390.22 457.46 477.86 481.59 765.50 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 351.97 374.02 457.73 470.39 485.99 776.77 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 341.93 372.86 451.38 472.15 487.13 783.74 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 348.37 370.57 455.61 468.03 483.01 784.93 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 347.91 383.61 451.08 472.21 477.86 782.76 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.94 397.51 432.42 467.03 500.12 782.47 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 317.86 385.86 409.32 456.59 539.50 788.29 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 304.02 359.07 385.35 435.54 584.79 798.82 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 295.00 331.03 364.88 408.47 625.15 808.19 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.58 310.73 355.58 383.89 653.84 811.28 -------------------------------------------------------------------------------- K point *** = 0.468750 0.906250 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.83 306.81 358.40 373.16 666.11 806.43 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.031250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 287.70 294.45 354.69 363.55 660.95 823.01 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.093750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 289.35 316.20 369.51 387.85 631.18 819.79 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.156250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.09 346.88 389.76 420.55 589.30 809.97 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.218750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 307.36 376.06 410.61 449.29 542.26 798.96 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.281250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 320.78 390.87 429.50 465.03 501.48 793.33 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.343750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 333.45 378.31 444.63 471.00 479.99 794.75 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.406250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 342.78 354.57 454.57 461.29 484.59 798.32 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.468750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 344.17 347.87 456.26 458.57 489.40 797.96 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.531250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 346.08 357.98 456.05 463.13 488.26 790.81 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.593750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 339.69 387.04 447.40 478.60 484.09 778.43 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.656250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 329.25 408.59 433.18 474.69 508.96 767.06 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.718750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 316.99 399.60 414.76 465.72 550.31 764.99 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.781250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 305.49 371.15 394.12 441.04 597.84 774.78 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.843750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 296.93 336.86 373.89 405.78 639.20 790.75 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.906250 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 291.83 306.81 358.40 373.16 666.11 806.43 -------------------------------------------------------------------------------- K point *** = 0.468750 0.968750 0.968750 Weight = 0.000 -------------------------------------------------------------------------------- Frequencies (cm-1) : 288.57 291.12 353.29 354.73 673.60 818.05 -------------------------------------------------------------------------------- Phonon properties (per mole of unit cells): Temperature = 0.000 K -------------------------------------------------------------------------------- Zero point energy = 0.174340 eV -------------------------------------------------------------------------------- Phonon density of states : -------------------------------------------------------------------------------- Frequency Density of States -------------------------------------------------------------------------------- 0.00000 | 0.000 18.00000 | 0.000 36.00000 | 0.001 54.00000 | 0.000 72.00000 |* 0.001 90.00000 |* 0.001 108.00000 |** 0.003 126.00000 |** 0.003 144.00000 |**** 0.005 162.00000 |**** 0.006 180.00000 |****** 0.008 198.00000 |******* 0.010 216.00000 |******** 0.011 234.00000 |********** 0.013 252.00000 |**************** 0.021 270.00000 |********************** 0.028 288.00000 |****************************** 0.038 306.00000 |****************************** 0.038 324.00000 |********************************** 0.043 342.00000 |****************************** 0.037 360.00000 |***************************************************** 0.066 378.00000 |*************************************************** 0.063 396.00000 |************************************************************ 0.075 414.00000 |********************************************************** 0.072 432.00000 |**************************************************** 0.066 450.00000 |********************************************** 0.058 468.00000 |**************************************************** 0.066 486.00000 |********** 0.013 504.00000 |******** 0.011 522.00000 |********* 0.011 540.00000 |******** 0.010 558.00000 |******** 0.011 576.00000 |******** 0.010 594.00000 |*********** 0.014 612.00000 |********* 0.012 630.00000 |****** 0.008 648.00000 |**** 0.006 666.00000 |***** 0.007 684.00000 |**** 0.005 702.00000 |****** 0.009 720.00000 |******* 0.009 738.00000 |******* 0.010 756.00000 |******* 0.010 774.00000 |********** 0.013 792.00000 |******** 0.011 810.00000 |******** 0.011 828.00000 |******* 0.009 846.00000 |****** 0.008 864.00000 |****** 0.008 882.00000 |***** 0.007 900.00000 |**** 0.006 918.00000 |***** 0.006 936.00000 |**** 0.005 954.00000 |*** 0.004 972.00000 |**** 0.005 990.00000 |*** 0.004 1008.00000 |** 0.003 1026.00000 |*** 0.004 1044.00000 |* 0.002 1062.00000 |* 0.002 1080.00000 |* 0.002 1098.00000 |* 0.001 1116.00000 | 0.000 1134.00000 | 0.000 -------------------------------------------------------------------------------- Phonon density of states written as MgO_5.dens Time to end of properties = 0.6303 seconds Peak dynamic memory used = 5.62 MB Timing analysis for Gulp : -------------------------------------------------------------------------------- Task / Subroutine Time (Seconds) -------------------------------------------------------------------------------- Calculation of reciprocal space energy and derivatives 0.0821 Calculation of real space energy and derivatives 0.3756 Calculation of properties 0.0002 Calculation of phonons 0.4888 Matrix diagonalisation 0.0047 -------------------------------------------------------------------------------- Total CPU time 0.6304 -------------------------------------------------------------------------------- Job Finished at 15:20.17 4th February 2016