User contributions for Miranda.henrique

1 September 2022

• 18:3818:38, 1 September 2022 diff hist 0‎ KSPACING ‎No edit summary
• 18:3618:36, 1 September 2022 diff hist +3‎ KSPACING ‎No edit summary
• 18:3318:33, 1 September 2022 diff hist +147‎ KSPACING ‎No edit summary
• 09:4909:49, 1 September 2022 diff hist +1,407‎ N LPHON READ FORCE CONSTANTS ‎ Created page with "{{DISPLAYTITLE:LPHON_READ_FORCE_CONSTANTS}} {{TAGDEF|LPHON_READ_FORCE_CONSTANTS|.TRUE. {{!}} .FALSE. }} {{DEF|LPHON_READ_FORCE_CONSTANTS|.FALSE.|}} Description: {{TAG|LPHON_R..." current

30 August 2022

• 13:2913:29, 30 August 2022 diff hist −18‎ PHON NWRITE ‎No edit summary
• 13:2013:20, 30 August 2022 diff hist +525‎ DOSCAR ‎No edit summary

18 August 2022

• 11:4611:46, 18 August 2022 diff hist −6‎ Phonons: Theory ‎ →‎Density functional perturbation theory
• 11:4611:46, 18 August 2022 diff hist −6‎ Phonons: Theory ‎ →‎Finite differences
• 09:1809:18, 18 August 2022 diff hist +28‎ Phonons: Theory ‎ →‎Taylor expansion in ionic displacements

17 August 2022

• 15:3115:31, 17 August 2022 diff hist +32‎ LOCPROJ ‎No edit summary
• 15:0215:02, 17 August 2022 diff hist +8‎ PROOUT ‎No edit summary current
• 15:0215:02, 17 August 2022 diff hist +32‎ PROOUT ‎No edit summary

12 August 2022

• 09:1909:19, 12 August 2022 diff hist +65‎ Phonons from density-functional-perturbation theory ‎No edit summary
• 09:0809:08, 12 August 2022 diff hist +235‎ IBRION ‎No edit summary
• 08:2808:28, 12 August 2022 diff hist +36‎ Phonons from density-functional-perturbation theory ‎No edit summary
• 08:2508:25, 12 August 2022 diff hist +30‎ IBRION ‎No edit summary
• 08:2508:25, 12 August 2022 diff hist +3‎ Phonons from finite differences ‎No edit summary
• 08:2208:22, 12 August 2022 diff hist −2,350‎ IBRION ‎ →‎{{TAG|IBRION}}=5 and 6: second derivatives, Hessian matrix and phonon frequencies (finite differences).
• 08:1908:19, 12 August 2022 diff hist +647‎ Phonons from finite differences ‎No edit summary
• 08:1308:13, 12 August 2022 diff hist +1,296‎ Phonons from finite differences ‎ →‎Output
• 08:0908:09, 12 August 2022 diff hist +12‎ Phonons from finite differences ‎ →‎Input
• 07:4907:49, 12 August 2022 diff hist +86‎ Phonons from density-functional-perturbation theory ‎No edit summary
• 07:4707:47, 12 August 2022 diff hist +126‎ Phonons from finite differences ‎No edit summary
• 07:4507:45, 12 August 2022 diff hist +142‎ Phonons: Theory ‎No edit summary
• 07:4307:43, 12 August 2022 diff hist +102‎ Phonons from finite differences ‎No edit summary
• 07:3707:37, 12 August 2022 diff hist +433‎ Phonons from density-functional-perturbation theory ‎No edit summary
• 07:3507:35, 12 August 2022 diff hist +33‎ Phonons: Theory ‎ →‎Density functional perturbation theory
• 06:5106:51, 12 August 2022 diff hist +36‎ Phonons: Theory ‎No edit summary
• 06:4006:40, 12 August 2022 diff hist +45‎ Phonons: Theory ‎No edit summary

11 August 2022

• 13:2213:22, 11 August 2022 diff hist +92‎ Computing the phonon dispersion and DOS ‎No edit summary
• 13:1513:15, 11 August 2022 diff hist −49‎ Computing the phonon dispersion and DOS ‎ →‎Computing the phonon dispersion
• 12:3712:37, 11 August 2022 diff hist +112‎ Computing the phonon dispersion and DOS ‎ →‎Computing the phonon dispersion
• 12:3112:31, 11 August 2022 diff hist +1,095‎ N PHON DOS ‎ Created page with "{{DISPLAYTITLE:PHON_DOS}} {{TAGDEF|PHON_DOS| 0 {{!}} 1 {{!}} 2 }} {{DEF|PHON_DOS|0|}} Description: Select the approach to use when computing the phonon density-of-states (DOS..." current
• 11:4611:46, 11 August 2022 diff hist +934‎ N PHON SIGMA ‎ Created page with "{{DISPLAYTITLE:PHON_SIGMA}} {{TAGDEF|PHON_SIGMA| [real] }} {{DEF|PHON_SIGMA|0.0005 eV|}} Description: {{TAG|PHON_SIGMA}} sets the width of the gaussian function in units of e..."
• 10:0010:00, 11 August 2022 diff hist +838‎ N PHON NEDOS ‎ Created page with "{{DISPLAYTITLE:PHON_NEDOS}} {{TAGDEF|PHON_NEDOS| [integer] }} {{DEF|PHON_NEDOS|2000|}} Description: {{TAG|PHON_NEDOS}} sets the number of frequency points to use in the compu..."
• 07:5707:57, 11 August 2022 diff hist +44‎ Computing the phonon dispersion and DOS ‎ →‎Computing the phonon dispersion
• 07:3407:34, 11 August 2022 diff hist +72‎ Phonons from density-functional-perturbation theory ‎No edit summary
• 07:3307:33, 11 August 2022 diff hist +15‎ Category:Phonons ‎No edit summary
• 07:3007:30, 11 August 2022 diff hist +42‎ Phonons: Theory ‎No edit summary
• 07:2107:21, 11 August 2022 diff hist 0‎ Category:Phonons ‎No edit summary
• 07:2107:21, 11 August 2022 diff hist 0‎ Phonons: Theory ‎No edit summary

10 August 2022

• 15:0915:09, 10 August 2022 diff hist −10‎ Phonons: Theory ‎ →‎Long-range interatomic force constants (LO-TO splitting)
• 14:5914:59, 10 August 2022 diff hist +109‎ Phonons: Theory ‎No edit summary
• 14:5114:51, 10 August 2022 diff hist −13‎ Phonons: Theory ‎ →‎Long-range interatomic force constants (LO-TO splitting)
• 14:4914:49, 10 August 2022 diff hist −10‎ PHON G CUTOFF ‎No edit summary
• 14:4814:48, 10 August 2022 diff hist +14‎ Phonons: Theory ‎ →‎Long-range interatomic force constants (LO-TO splitting)
• 14:4314:43, 10 August 2022 diff hist +15‎ Phonons: Theory ‎ →‎Long-range interatomic force constants (LO-TO splitting)
• 14:3914:39, 10 August 2022 diff hist +245‎ Phonons: Theory ‎ →‎Dynamical matrix and phonon modes
• 14:0714:07, 10 August 2022 diff hist 0‎ Phonons: Theory ‎ →‎Long-range interatomic force constants (LO-TO splitting)
• 13:3713:37, 10 August 2022 diff hist +892‎ Phonons: Theory ‎No edit summary