User contributions for Ac4515
Appearance
5 December 2017
- 18:3318:33, 5 December 2017 diff hist 0 N File:Free energy vs temp QH.png No edit summary current
- 18:2418:24, 5 December 2017 diff hist −164 Rep:Ac4515 MgO No edit summary Tag: Visual edit
- 18:2018:20, 5 December 2017 diff hist −49 Rep:Ac4515 MgO →Convergence and computing of Helmholtz free energy at 300K
- 18:1218:12, 5 December 2017 diff hist −146 Rep:Ac4515 MgO No edit summary Tag: Visual edit
- 18:0818:08, 5 December 2017 diff hist −293 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 18:0518:05, 5 December 2017 diff hist +152 Rep:Ac4515 MgO No edit summary Tag: Visual edit
- 17:5117:51, 5 December 2017 diff hist −331 Rep:Ac4515 MgO No edit summary Tag: Visual edit
- 17:4417:44, 5 December 2017 diff hist +1 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 17:4317:43, 5 December 2017 diff hist +4 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 17:4317:43, 5 December 2017 diff hist +15 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 17:4117:41, 5 December 2017 diff hist −9 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 17:4017:40, 5 December 2017 diff hist +26 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 17:3917:39, 5 December 2017 diff hist +28 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 17:3417:34, 5 December 2017 diff hist 0 N File:Quasiharmoniceq.png No edit summary current
- 17:3117:31, 5 December 2017 diff hist −671 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 17:1417:14, 5 December 2017 diff hist +12 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 16:4716:47, 5 December 2017 diff hist +152 Rep:Ac4515 MgO No edit summary
- 16:3816:38, 5 December 2017 diff hist +1 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 16:3616:36, 5 December 2017 diff hist +8 Rep:Ac4515 MgO →Optimising the grid size
- 16:3616:36, 5 December 2017 diff hist 0 Rep:Ac4515 MgO →Convergence and computing of free energy at 300K
- 16:3616:36, 5 December 2017 diff hist +157 Rep:Ac4515 MgO →Convergence of free energy at 300K
- 16:3316:33, 5 December 2017 diff hist −46 Rep:Ac4515 MgO →Optimising the k-space grid at 300K size using the quasi-harmonic approximation
- 16:3216:32, 5 December 2017 diff hist +1,479 Rep:Ac4515 MgO →Calculating the Free Energy in the Harmonic Approximation
- 16:2016:20, 5 December 2017 diff hist −1 Rep:Ac4515 MgO →Calculating the Free Energy in the Harmonic Approximation
- 16:1916:19, 5 December 2017 diff hist +89 Rep:Ac4515 MgO →Calculating the Free Energy in the Harmonic Approximation
- 16:1716:17, 5 December 2017 diff hist 0 N File:Variation of freeE with grid size 300K.png No edit summary current
- 15:5415:54, 5 December 2017 diff hist −179 Rep:Ac4515 MgO →DOS and phonon dispersion relationship
- 15:5415:54, 5 December 2017 diff hist +64 Rep:Ac4515 MgO →Optimising the grid size
- 15:5215:52, 5 December 2017 diff hist 0 Rep:Ac4515 MgO No edit summary Tag: Visual edit
- 15:5015:50, 5 December 2017 diff hist 0 N File:28x28x28 DOS.PNG No edit summary current
- 15:5015:50, 5 December 2017 diff hist −27 Rep:Ac4515 MgO →Optimising the grid size
- 15:4915:49, 5 December 2017 diff hist +61 Rep:Ac4515 MgO →Optimising the grid size
- 15:4315:43, 5 December 2017 diff hist +337 Rep:Ac4515 MgO →Calculating the Free Energy in the Harmonic Approximation
- 15:4015:40, 5 December 2017 diff hist +6 Rep:Ac4515 MgO →Optimising the grid size
- 15:4015:40, 5 December 2017 diff hist −43 Rep:Ac4515 MgO →Results and discussion
- 15:1815:18, 5 December 2017 diff hist −713 Rep:Ac4515 MgO →Optimising the grid size
- 15:1115:11, 5 December 2017 diff hist +248 Rep:Ac4515 MgO →Results and discussion
- 14:5714:57, 5 December 2017 diff hist +377 Rep:Ac4515 MgO →Results and discussion
- 14:4314:43, 5 December 2017 diff hist +23 Rep:Ac4515 MgO →Quasi-harmonic thermal expansion
- 14:2614:26, 5 December 2017 diff hist +164 Rep:Ac4515 MgO →Results and discussion
- 14:1514:15, 5 December 2017 diff hist +167 Rep:Ac4515 MgO →Optimising the grid size
- 13:5413:54, 5 December 2017 diff hist +70 Rep:Ac4515 MgO →Optimising the grid size
- 13:0413:04, 5 December 2017 diff hist +33 Rep:Ac4515 MgO →Results and discussion
- 13:0313:03, 5 December 2017 diff hist −21 Rep:Ac4515 MgO →Lattice Vibrations- computing the Phonons
- 13:0013:00, 5 December 2017 diff hist −1 Rep:Ac4515 MgO →Lattice Vibrations- computing the Phonons
- 12:5412:54, 5 December 2017 diff hist −175 Rep:Ac4515 MgO →Lattice Vibrations- computing the Phonons
- 12:5312:53, 5 December 2017 diff hist −197 Rep:Ac4515 MgO →Lattice Vibrations- computing the Phonons
- 12:0512:05, 5 December 2017 diff hist +108 Rep:Ac4515 MgO →Lattice Vibrations- computing the Phonons
- 11:5711:57, 5 December 2017 diff hist +318 Rep:Ac4515 MgO →Lattice Vibrations- computing the Phonons
- 11:3611:36, 5 December 2017 diff hist +781 Rep:Ac4515 MgO →Lattice Vibrations- computing the Phonons