User contributions for Mmn115
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7 March 2018
- 13:4413:44, 7 March 2018 diff hist 0 N File:Phonon DOS 16x16x16.PNG No edit summary current
- 13:4413:44, 7 March 2018 diff hist 0 N File:Phonon DOS 14x14x14 mn.PNG No edit summary current
- 13:4413:44, 7 March 2018 diff hist 0 N File:Phonon DOS 12x12x12 mn.PNG No edit summary current
- 13:4313:43, 7 March 2018 diff hist 0 N File:Phonon DOS 10x10x10 mn.PNG No edit summary current
- 13:4313:43, 7 March 2018 diff hist 0 N File:Phonon DOS 8x8x8 mn.PNG No edit summary current
- 13:4213:42, 7 March 2018 diff hist 0 N File:Mn.PNG No edit summary current
- 13:4213:42, 7 March 2018 diff hist 0 N File:Phonon DOS 4x4x4 mn.PNG No edit summary current
- 13:4113:41, 7 March 2018 diff hist 0 N File:Phonon DOS 2x2x2 mn.PNG No edit summary current
- 13:3913:39, 7 March 2018 diff hist 0 File:Phonon DOS 2x2x2.PNG Mmn115 uploaded a new version of File:Phonon DOS 2x2x2.PNG current
- 13:3713:37, 7 March 2018 diff hist +251 Rep:MgO:mmn115 →Calculating phonon modes of MgO
- 13:3613:36, 7 March 2018 diff hist 0 File:Phonon dispersion curve.PNG Mmn115 uploaded a new version of File:Phonon dispersion curve.PNG current
- 13:3513:35, 7 March 2018 diff hist 0 File:Phonon DOS.PNG Mmn115 uploaded a new version of File:Phonon DOS.PNG current
- 12:1112:11, 7 March 2018 diff hist +1,427 Rep:MgO:mmn115 →Molecular Dynamics Tag: Visual edit
- 11:5111:51, 7 March 2018 diff hist +1,643 Rep:MgO:mmn115 →Computing the free energy - the harmonic approximation Tag: Visual edit
- 11:1711:17, 7 March 2018 diff hist +116 Rep:MgO:mmn115 →Calculating the phonon modes of MgO
- 11:1511:15, 7 March 2018 diff hist +806 Rep:MgO:mmn115 →Method
6 March 2018
- 17:0317:03, 6 March 2018 diff hist +1,675 Rep:MgO:mmn115 No edit summary
- 16:2016:20, 6 March 2018 diff hist +88 Rep:MgO:mmn115 →Thermal coefficient Tag: Visual edit
- 16:1816:18, 6 March 2018 diff hist +300 Rep:MgO:mmn115 →Temperature vs lattice constant Tag: Visual edit
- 15:5615:56, 6 March 2018 diff hist +47 Rep:MgO:mmn115 →Thermal coefficient Tag: Visual edit
- 15:5015:50, 6 March 2018 diff hist −168 Rep:MgO:mmn115 →Thermal coefficient Tag: Visual edit
- 15:4215:42, 6 March 2018 diff hist +1,689 Rep:MgO:mmn115 →Thermal Expansion of MgO
- 15:1615:16, 6 March 2018 diff hist +1,270 Rep:MgO:mmn115 →Thermal Expansion of MgO Tag: Visual edit
- 15:0315:03, 6 March 2018 diff hist +128 Rep:MgO:mmn115 →Calculating phonon modes of MgO
- 15:0015:00, 6 March 2018 diff hist +846 Rep:MgO:mmn115 →Calculating phonon modes of MgO Tag: Visual edit
- 14:0014:00, 6 March 2018 diff hist +30 Rep:MgO:mmn115 No edit summary
- 13:5913:59, 6 March 2018 diff hist +261 Rep:MgO:mmn115 →Computing the Free Energy - the harmonic approximation Tag: Visual edit
- 13:5313:53, 6 March 2018 diff hist +2,182 N Rep:MgO:mmn115 Created page with "=Introduction= =Method= =Results and discussion= ==Calculating phonon modes of MgO== ''The density of states for 1x1x1 grid was computed for a single k-point. Can you work o..."
21 November 2017
- 23:4023:40, 21 November 2017 diff hist −387 MRD:mmn115 Transition Structures →Introduction Tag: Visual edit
- 21:5821:58, 21 November 2017 diff hist +573 MRD:mmn115 Transition Structures →Thermochemistry
- 21:4921:49, 21 November 2017 diff hist +2,528 MRD:mmn115 Transition Structures →Conclusion
- 21:3021:30, 21 November 2017 diff hist −72 MRD:mmn115 Transition Structures No edit summary
- 21:1721:17, 21 November 2017 diff hist −10 MRD:mmn115 Transition Structures →Transition state, minimum and the potential energy surface Tag: Visual edit
- 21:1221:12, 21 November 2017 diff hist +15 MRD:mmn115 Transition Structures →CHELETROPIC
- 21:1121:11, 21 November 2017 diff hist +11 MRD:mmn115 Transition Structures →CHELETROPIC
- 21:1121:11, 21 November 2017 diff hist −46 MRD:mmn115 Transition Structures →CHELETROPIC
- 21:1021:10, 21 November 2017 diff hist −8 MRD:mmn115 Transition Structures →CHELETROPIC
- 21:1021:10, 21 November 2017 diff hist 0 MRD:mmn115 Transition Structures →CHELETROPIC
- 21:0921:09, 21 November 2017 diff hist +107 MRD:mmn115 Transition Structures →MO diagram
- 21:0821:08, 21 November 2017 diff hist +91 MRD:mmn115 Transition Structures →Reaction
- 21:0721:07, 21 November 2017 diff hist +96 MRD:mmn115 Transition Structures →MO diagram
- 21:0521:05, 21 November 2017 diff hist +241 MRD:mmn115 Transition Structures →The Diels-Alder and Cheletropic reaction
- 21:0221:02, 21 November 2017 diff hist +664 MRD:mmn115 Transition Structures →Conclusion
- 21:0121:01, 21 November 2017 diff hist −27 MRD:mmn115 Transition Structures →Gaussian
- 21:0021:00, 21 November 2017 diff hist −73 MRD:mmn115 Transition Structures →Gaussian
- 20:5520:55, 21 November 2017 diff hist +733 MRD:mmn115 Transition Structures →Conclusion
- 20:5420:54, 21 November 2017 diff hist −34 MRD:mmn115 Transition Structures →Gaussian
- 20:4820:48, 21 November 2017 diff hist +763 MRD:mmn115 Transition Structures →Gaussian
- 20:4220:42, 21 November 2017 diff hist 0 MRD:mmn115 Transition Structures →Gaussian
- 20:4220:42, 21 November 2017 diff hist +2,094 MRD:mmn115 Transition Structures →Gaussian