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13:11, 7 March 2017 Hjt14 talk contribs uploaded a new version of File:MgO V vs T hjt14.png
13:08, 7 March 2017 Hjt14 talk contribs uploaded File:MgO V vs T hjt14.png
14:40, 6 March 2017 Hjt14 talk contribs uploaded File:MgO LP vs T hjt14.PNG
14:21, 6 March 2017 Hjt14 talk contribs uploaded File:MgO HFE vs T hjt14.PNG
14:11, 6 March 2017 Hjt14 talk contribs uploaded a new version of File:MgO HFE vs Grid Size hjt14.PNG
14:04, 6 March 2017 Hjt14 talk contribs uploaded File:MgO HFE vs Grid Size hjt14.PNG
13:42, 6 March 2017 Hjt14 talk contribs uploaded File:MgO Phonon DOS 25x25x25 hjt14.PNG
13:41, 6 March 2017 Hjt14 talk contribs uploaded File:MgO Phonon DOS 20x20x20 hjt14.PNG
13:41, 6 March 2017 Hjt14 talk contribs uploaded File:MgO Phonon DOS 15x15x15 hjt14.PNG
13:40, 6 March 2017 Hjt14 talk contribs uploaded File:MgO Phonon DOS 10x10x10 hjt14.PNG
13:39, 6 March 2017 Hjt14 talk contribs uploaded File:MgO Phonon DOS 5x5x5 hjt14.PNG
13:38, 6 March 2017 Hjt14 talk contribs uploaded File:MgO Phonon DOS 1x1x1 hjt14.PNG
13:34, 6 March 2017 Hjt14 talk contribs uploaded File:MgO Phonon Dispersion Plot hjt14.PNG
09:16, 6 March 2017 Hjt14 talk contribs uploaded File:MgO Unit cells hjt14.png
20:40, 9 February 2017 Hjt14 talk contribs uploaded File:Section 5 CvV vs T.png
20:39, 9 February 2017 Hjt14 talk contribs uploaded File:Nvt(0.2, 2.0, 0.0025).in (Corrected input file for heat capacity calculation)
18:58, 9 February 2017 Hjt14 talk contribs uploaded File:Section 7 Running Int hjt14.png
16:11, 9 February 2017 Hjt14 talk contribs uploaded File:Section 7 VACF graph hjt14.png
16:07, 9 February 2017 Hjt14 talk contribs uploaded File:Section 7 VACF and SHO.png
15:48, 9 February 2017 Hjt14 talk contribs uploaded File:Part 7 Diffusion hjt146.png (Part_7_Diffusion_hjt146 Timestep to time)
15:42, 9 February 2017 Hjt14 talk contribs uploaded a new version of File:Part 7 Diffusion hjt14.png (Timestep to time)
15:40, 9 February 2017 Hjt14 talk contribs uploaded a new version of File:Part 7 Diffusion hjt14.png (Timestep to time)
16:12, 7 February 2017 Hjt14 talk contribs uploaded File:Part 7 Diffusion hjt14.png (Part 7 Diffusion hjt14)
15:31, 7 February 2017 Hjt14 talk contribs uploaded File:FCC neighbour.jpg (Part 6: FCC lattice hjt14)
15:30, 7 February 2017 Hjt14 talk contribs uploaded File:Part 6 int g hjt14.png (Part 6: int g(r) hjt14)
15:29, 7 February 2017 Hjt14 talk contribs uploaded File:Part 6 gr hjt14.png (Part 6: g(r) hjt14)
15:32, 3 February 2017 Hjt14 talk contribs uploaded File:Nvt(0.2, 2.0, 0.0025) hjt14.in (Section 5 example input script hjt14)
15:29, 3 February 2017 Hjt14 talk contribs uploaded File:Section 5 Cv graph hjt14.png (Section 5 Cv graph hjt14)
14:10, 3 February 2017 Hjt14 talk contribs uploaded a new version of File:Section 4 NPT graph hjt14.png (Section 4 NPT graph hjt14 rescaled)
10:47, 3 February 2017 Hjt14 talk contribs uploaded File:Section 4 NPT graph hjt14.png (Section 4: NPT graph hjt14)
19:14, 2 February 2017 Hjt14 talk contribs uploaded File:Intro 0.001 Timestep Pressure hjt14.png (Section 3: Intro 0.001 Timestep Pressure hjt14)
19:13, 2 February 2017 Hjt14 talk contribs uploaded File:Intro 0.001 Timestep Temperature hjt14.png (Section 3: Intro 0.001 Timestep Temperature hjt14)
19:12, 2 February 2017 Hjt14 talk contribs uploaded File:Intro 0.001 Timestep total energy hjt14.png (Section 3: Intro_0.001_Timestep_total_energy_hjt14)
19:02, 2 February 2017 Hjt14 talk contribs uploaded File:Intro Total Energy Diff Timestep hjt14.png (Section 3: Intro Total Energy Diff Timestep)
17:26, 2 February 2017 Hjt14 talk contribs uploaded File:Graph of Percentage Error of Total Energy Against Timestep.PNG (Section 2: Graph of Percentage Error of Total Energy Against Timestep_hjt14)
17:18, 2 February 2017 Hjt14 talk contribs uploaded a new version of File:HO hjt14.xls (Section 2: Excel_file_hjt14_update_4)
17:07, 2 February 2017 Hjt14 talk contribs uploaded a new version of File:HO hjt14.xls (Section 2: Excel File_hjt14_update3)
17:04, 2 February 2017 Hjt14 talk contribs uploaded a new version of File:HO hjt14.xls (Section 2: HO_hjt14_updated_1)
16:04, 2 February 2017 Hjt14 talk contribs uploaded File:Graph of Absolute Error Against Time (Time Step= 0.100).PNG (Section 2: Graph of Absolute Error Against Time (Time Step= 0.100)_hjt14)
16:03, 2 February 2017 Hjt14 talk contribs uploaded File:Graph of Total Energy of Simple Harmonic Oscillator Against Time (Time Step= 0.100).PNG (Section 2: Graph of Total Energy of Simple Harmonic Oscillator Against Time (Time Step= 0.100)_hjt14)
16:02, 2 February 2017 Hjt14 talk contribs uploaded File:Graph of Position of Simple Harmonic Oscillator Against Time (Time Step= 0.100).PNG (Section 2: Graph of Position of Simple Harmonic Oscillator Against Time (Time Step= 0.100)_hjt14)
15:43, 2 February 2017 Hjt14 talk contribs uploaded File:HO hjt14.xls (Section 2: Excel File_hjt14)
22:47, 15 December 2016 Hjt14 talk contribs uploaded File:42CYCLOADDITION SEM IRCPRODUCT EXOTS OPT FRE SEM hjt14.LOG (Exercise 3 exo TS IRC product log file)
22:44, 15 December 2016 Hjt14 talk contribs uploaded File:42CYCLOADDITION EXOTS OPT FRE SEM hjt14.LOG (Exercise 3 exo TS log file)
22:42, 15 December 2016 Hjt14 talk contribs uploaded File:42CYCLOADDITION SEM IRCPRODUCT TS OPT FRE SEM hjt14.LOG (Exercise 3 DA endo TS IRC product log file)
22:40, 15 December 2016 Hjt14 talk contribs uploaded File:42CYCLOADDITION TS OPT FRE SEM hjt14.LOG (Exercise 3 DA endo TS log file)
22:39, 15 December 2016 Hjt14 talk contribs uploaded File:CHELETROPIC SEM IRCPRODUCT OPT FRE SEM hjt14.LOG (Exercise 3 cheletropic product log file)
22:35, 15 December 2016 Hjt14 talk contribs uploaded File:CHELETROPIC TS OPT FRE SEM hjt14.LOG (Exercise 3 cheletropic TS log file)
22:32, 15 December 2016 Hjt14 talk contribs uploaded File:XYLYLENE OPT FRE SEM BREAKSYM hjt14.LOG (Exercise 3 xylylene log file)
22:31, 15 December 2016 Hjt14 talk contribs uploaded File:SO2 OPT FRE SEM hjt14.LOG (Exercise 3 SO2 log file)