User contributions for Wolloch
9 February 2024
- 16:3816:38, 9 February 2024 diff hist −36 LPARD →Related tags and articles
- 16:3116:31, 9 February 2024 diff hist +1,094 N KPUSE Created page with "{{TAGDEF|KPUSE|[integer array]|not set}} Description: {{TAG|KPUSE}} sets a list of '''k''' points that contribute to calculating the partial charge density. ---- {{TAG|IBAND}} selects a subset of ''k''' points for which the partial charge density is calculated when {{TAG|LPARD}} = .TRUE.. Partial charge densities are written to the {{FILE|PARCHG}} file, or one of its variants, depending on the setting of {{TAG|LSEPB}} and {{TAG|LSEPK}}. {{NB|mind|All '''k''' point weigh..."
- 16:3116:31, 9 February 2024 diff hist +12 IBAND No edit summary
- 16:2916:29, 9 February 2024 diff hist −36 IBAND No edit summary
- 16:2016:20, 9 February 2024 diff hist +20 N PARCHG.0001.0001 Redirected page to PARCHG current Tag: New redirect
- 16:2016:20, 9 February 2024 diff hist +20 N PARCHG.nb.ALLK Redirected page to PARCHG current Tag: New redirect
- 16:1916:19, 9 February 2024 diff hist +20 N PARCHG.ALLB.nk Redirected page to PARCHG current Tag: New redirect
- 16:1816:18, 9 February 2024 diff hist +1,739 PARCHG No edit summary
- 14:5914:59, 9 February 2024 diff hist +74 Choosing pseudopotentials →Recommendations and advice
- 14:5614:56, 9 February 2024 diff hist +705 Available pseudopotentials →potpaw.52
- 14:5514:55, 9 February 2024 diff hist −706 Available pseudopotentials →Available pseudopotential sets
- 13:1413:14, 9 February 2024 diff hist +705 Available pseudopotentials →Available pseudopotential sets
- 11:3511:35, 9 February 2024 diff hist +627 Choosing pseudopotentials No edit summary
- 11:3011:30, 9 February 2024 diff hist +37,051 Choosing pseudopotentials →Recommendations and advice
8 February 2024
- 14:2614:26, 8 February 2024 diff hist +368 Preparing a POTCAR No edit summary
- 14:2514:25, 8 February 2024 diff hist +129 Construction:Theory:Pseudopotential basics →Related tags and sections current
- 13:3513:35, 8 February 2024 diff hist +280 Construction:Recommended PAW potentials for calculations involving unoccupied states No edit summary current
- 13:3313:33, 8 February 2024 diff hist +269 Construction:Recommended PAW potentials for calculations of mainly occupied states No edit summary current
- 13:3013:30, 8 February 2024 diff hist +152 Choosing pseudopotentials →Related tags and sections
- 13:0213:02, 8 February 2024 diff hist +183 Choosing pseudopotentials No edit summary
- 12:5712:57, 8 February 2024 diff hist 0 Available pseudopotentials →Related tags and sections
- 12:5412:54, 8 February 2024 diff hist +100 Construction:Category:Pseudopotentials No edit summary
- 12:2112:21, 8 February 2024 diff hist +16 Construction:Category:Pseudopotentials →Theory
- 12:1812:18, 8 February 2024 diff hist +38 Preparing a POTCAR No edit summary
7 February 2024
- 14:5314:53, 7 February 2024 diff hist +1 Construction:Theory:Pseudopotential basics →Related tags and sections
- 12:3112:31, 7 February 2024 diff hist −173 Choosing pseudopotentials No edit summary
- 12:2312:23, 7 February 2024 diff hist −12 Choosing pseudopotentials →p-elements
- 12:1612:16, 7 February 2024 diff hist −54 Choosing pseudopotentials →Alkali and alkali-earth elements (simple metals)
- 09:5009:50, 7 February 2024 diff hist −9 Construction:Theory:Pseudopotential basics →Ultrasoft pseudopotentials
- 09:4909:49, 7 February 2024 diff hist +124 Construction:Theory:Pseudopotential basics No edit summary
6 February 2024
- 16:3216:32, 6 February 2024 diff hist −22 Construction:Theory:Pseudopotential basics No edit summary
- 15:4015:40, 6 February 2024 diff hist +18 Template:Cite No edit summary
- 15:1615:16, 6 February 2024 diff hist +99 Construction:Category:Pseudopotentials No edit summary
- 13:4213:42, 6 February 2024 diff hist −110 Available pseudopotentials →Available pseudopotential sets
- 13:4113:41, 6 February 2024 diff hist +426 Available pseudopotentials →Available pseudopotential sets
- 13:4113:41, 6 February 2024 diff hist −426 Available pseudopotentials →Why VASP recommends PAW potentials
- 13:4113:41, 6 February 2024 diff hist −19 Available pseudopotentials →Why VASP recommends PAW potentials
- 13:4013:40, 6 February 2024 diff hist −174 Available pseudopotentials →Why VASP recommends PAW potentials
- 13:2313:23, 6 February 2024 diff hist +12 Available pseudopotentials →Ultrasoft pseudopotentials for LDA and PW91 (2002)
- 13:2213:22, 6 February 2024 diff hist +203 Available pseudopotentials →LDA (2010), PW91 (2006) and PBE (2010) PAW potentials
- 13:1613:16, 6 February 2024 diff hist +15,445 Available pseudopotentials →potpaw.52
- 13:1113:11, 6 February 2024 diff hist +17,900 Available pseudopotentials →potpaw.54
- 13:0813:08, 6 February 2024 diff hist +7,781 Available pseudopotentials →potpaw.64 (latest)
- 13:0513:05, 6 February 2024 diff hist +10,994 Available pseudopotentials →For calculations involving mainly occupied states
- 10:1310:13, 6 February 2024 diff hist −7 LPARD No edit summary
- 10:1010:10, 6 February 2024 diff hist 0 PARCHG No edit summary
- 10:0710:07, 6 February 2024 diff hist −71 LSEPK No edit summary
- 09:2409:24, 6 February 2024 diff hist +1 NBMOD No edit summary
- 09:2109:21, 6 February 2024 diff hist −62 NBMOD No edit summary
- 09:0209:02, 6 February 2024 diff hist +92 EINT No edit summary