User contributions for Wolloch
19 April 2024
- 09:5109:51, 19 April 2024 diff hist +178 IWAVPR No edit summary current
- 08:4008:40, 19 April 2024 diff hist +3 Construction:Available pseudopotentials →Related tags and sections current
- 08:3908:39, 19 April 2024 diff hist +1 Construction:Available pseudopotentials →Related tags and sections
- 08:3908:39, 19 April 2024 diff hist −15 Construction:Available pseudopotentials →Related tags and sections
15 April 2024
- 11:5711:57, 15 April 2024 diff hist +4 Construction:Müller-Plathe method →References current
- 11:5711:57, 15 April 2024 diff hist +38 N FML SWAPNUM Wolloch moved page FML SWAPNUM to Construction:FMP SWAPNUM current Tag: New redirect
- 11:5711:57, 15 April 2024 diff hist 0 m Construction:FMP SWAPNUM Wolloch moved page FML SWAPNUM to Construction:FMP SWAPNUM current
- 11:5611:56, 15 April 2024 diff hist +4 Construction:FMP SWAPNUM No edit summary
- 11:5611:56, 15 April 2024 diff hist +38 N FML SNUMBER Wolloch moved page FML SNUMBER to Construction:FMP SNUMBER current Tag: New redirect
- 11:5611:56, 15 April 2024 diff hist 0 m Construction:FMP SNUMBER Wolloch moved page FML SNUMBER to Construction:FMP SNUMBER current
- 11:5611:56, 15 April 2024 diff hist +4 Construction:FMP SNUMBER No edit summary
- 11:5511:55, 15 April 2024 diff hist +37 N FML PERIOD Wolloch moved page FML PERIOD to Construction:FMP PERIOD current Tag: New redirect
- 11:5511:55, 15 April 2024 diff hist 0 m Construction:FMP PERIOD Wolloch moved page FML PERIOD to Construction:FMP PERIOD current
- 11:5511:55, 15 April 2024 diff hist +4 Construction:FMP PERIOD No edit summary
- 11:5411:54, 15 April 2024 diff hist +40 N FML DIRECTION Wolloch moved page FML DIRECTION to Construction:FMP DIRECTION current Tag: New redirect
- 11:5411:54, 15 April 2024 diff hist 0 m Construction:FMP DIRECTION Wolloch moved page FML DIRECTION to Construction:FMP DIRECTION current
- 11:5411:54, 15 April 2024 diff hist +4 Construction:FMP DIRECTION No edit summary
- 11:5411:54, 15 April 2024 diff hist +4 Construction:FMP ACTIVE No edit summary current
- 11:5311:53, 15 April 2024 diff hist +37 N FML ACTIVE Wolloch moved page FML ACTIVE to Construction:FMP ACTIVE current Tag: New redirect
- 11:5311:53, 15 April 2024 diff hist 0 m Construction:FMP ACTIVE Wolloch moved page FML ACTIVE to Construction:FMP ACTIVE
9 April 2024
- 13:0713:07, 9 April 2024 diff hist +40 Toolchains →VASP.6.4.3
- 13:0513:05, 9 April 2024 diff hist +323 Toolchains →Footnotes and references
- 12:5112:51, 9 April 2024 diff hist +964 Known issues No edit summary
25 March 2024
- 15:5415:54, 25 March 2024 diff hist 0 m METAGGA →POTCAR files: required information: should be core electrons not core-electrons I think. current Tag: Visual edit
- 15:5215:52, 25 March 2024 diff hist +453 METAGGA →POTCAR files: required information
20 March 2024
- 08:4908:49, 20 March 2024 diff hist 0 EMIN No edit summary current
7 March 2024
- 10:1710:17, 7 March 2024 diff hist 0 PARCHG No edit summary current
26 February 2024
- 07:4007:40, 26 February 2024 diff hist +33 KPUSE No edit summary
- 07:3807:38, 26 February 2024 diff hist +33 IBAND No edit summary
22 February 2024
- 14:5714:57, 22 February 2024 diff hist +37 PARCHG No edit summary
- 14:5514:55, 22 February 2024 diff hist +33 LSEPK No edit summary current
- 14:5314:53, 22 February 2024 diff hist +33 LSEPB No edit summary current
- 14:5114:51, 22 February 2024 diff hist +37 EINT No edit summary current
- 14:5014:50, 22 February 2024 diff hist +33 NBMOD No edit summary current
9 February 2024
- 16:4716:47, 9 February 2024 diff hist −5,010 Band decomposed charge densities Redirected page to Band-decomposed charge densities current Tag: New redirect
- 16:4516:45, 9 February 2024 diff hist −36 Band-decomposed charge densities →Related tags and articles current
- 16:4016:40, 9 February 2024 diff hist −45 LSEPB No edit summary
- 16:4016:40, 9 February 2024 diff hist −45 LSEPK No edit summary
- 16:3916:39, 9 February 2024 diff hist −36 LSEPK →Related tags and articles
- 16:3916:39, 9 February 2024 diff hist −36 LSEPB →Related tags and articles
- 16:3816:38, 9 February 2024 diff hist −36 EINT →Related tags and articles
- 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 Construction:Choosing pseudopotentials →Recommendations and advice current
- 14:5614:56, 9 February 2024 diff hist +705 Construction:Available pseudopotentials →potpaw.52
- 14:5514:55, 9 February 2024 diff hist −706 Construction:Available pseudopotentials →Available pseudopotential sets
- 13:1413:14, 9 February 2024 diff hist +705 Construction:Available pseudopotentials →Available pseudopotential sets
- 11:3511:35, 9 February 2024 diff hist +627 Construction:Choosing pseudopotentials No edit summary
- 11:3011:30, 9 February 2024 diff hist +37,051 Construction:Choosing pseudopotentials →Recommendations and advice
8 February 2024
- 14:2614:26, 8 February 2024 diff hist +368 Construction:Prepare a POTCAR No edit summary current
- 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 Construction:Choosing pseudopotentials →Related tags and sections
- 13:0213:02, 8 February 2024 diff hist +183 Construction:Choosing pseudopotentials No edit summary
- 12:5712:57, 8 February 2024 diff hist 0 Construction:Available pseudopotentials →Related tags and sections
- 12:5412:54, 8 February 2024 diff hist +100 Construction:Category:Pseudopotentials No edit summary current
- 12:2112:21, 8 February 2024 diff hist +16 Construction:Category:Pseudopotentials →Theory
- 12:1812:18, 8 February 2024 diff hist +38 Construction:Prepare 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 Construction:Choosing pseudopotentials No edit summary
- 12:2312:23, 7 February 2024 diff hist −12 Construction:Choosing pseudopotentials →p-elements
- 12:1612:16, 7 February 2024 diff hist −54 Construction:Choosing pseudopotentials →Alkali and alkali-earth elements (simple metals)
- 11:0011:00, 7 February 2024 diff hist +28 Construction:POTCAR →File Format current
- 10:4010:40, 7 February 2024 diff hist +106 Construction:POTCAR →Different variants
- 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 Construction:Available pseudopotentials →Available pseudopotential sets
- 13:4113:41, 6 February 2024 diff hist +426 Construction:Available pseudopotentials →Available pseudopotential sets
- 13:4113:41, 6 February 2024 diff hist −426 Construction:Available pseudopotentials →Why VASP recommends PAW potentials
- 13:4113:41, 6 February 2024 diff hist −19 Construction:Available pseudopotentials →Why VASP recommends PAW potentials
- 13:4013:40, 6 February 2024 diff hist −174 Construction:Available pseudopotentials →Why VASP recommends PAW potentials
- 13:2313:23, 6 February 2024 diff hist +12 Construction:Available pseudopotentials →Ultrasoft pseudopotentials for LDA and PW91 (2002)
- 13:2213:22, 6 February 2024 diff hist +203 Construction:Available pseudopotentials →LDA (2010), PW91 (2006) and PBE (2010) PAW potentials
- 13:1613:16, 6 February 2024 diff hist +15,445 Construction:Available pseudopotentials →potpaw.52
- 13:1113:11, 6 February 2024 diff hist +17,900 Construction:Available pseudopotentials →potpaw.54
- 13:0813:08, 6 February 2024 diff hist +7,781 Construction:Available pseudopotentials →potpaw.64 (latest)
- 13:0513:05, 6 February 2024 diff hist +10,994 Construction: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
- 08:5008:50, 6 February 2024 diff hist +363 Band-decomposed charge densities No edit summary
- 08:1508:15, 6 February 2024 diff hist −54 Band-decomposed charge densities →Step-by-step instructions
5 February 2024
- 16:1716:17, 5 February 2024 diff hist +1,958 Band-decomposed charge densities No edit summary
- 15:1615:16, 5 February 2024 diff hist +30 Band-decomposed charge densities →Output files
- 14:4814:48, 5 February 2024 diff hist +208 LSEPK No edit summary
- 14:4114:41, 5 February 2024 diff hist +3 Band-decomposed charge densities →Input tags and modes of selecting the partial charges
- 14:4014:40, 5 February 2024 diff hist −232 Band-decomposed charge densities →Input tags and modes of selecting the partial charges