User contributions for Wolloch
31 January 2024
- 11:2311:23, 31 January 2024 diff hist +303 NBMOD No edit summary
- 11:0211:02, 31 January 2024 diff hist +2,391 N NBMOD Created page with "{{TAGDEF|NBMOD|-3 {{!}} -2 {{!}} -1 {{!}} 0 {{!}} [positive integer]}} {{DEF|MYTAG|n| if {{TAG|IBAND}} is set and contains n values |-2| if {{TAG|EINT}} is set and {{TAG|IBAND}} is not set |-1| if neither {{TAG|EINT}} nor {{TAG|IBAND}} are set}} Description: {{TAG|NBMOD}} controls how bands are selected when computing partial charge densities. ---- {{TAG|NBMOD}} is used in conjunction with other tags to define the selection of partial charge densities. * {{TAG|NBMO..."
- 09:2109:21, 31 January 2024 diff hist +87 EINT No edit summary
30 January 2024
- 16:3016:30, 30 January 2024 diff hist +1,287 N EINT Created page with "{{TAGDEF|EINT| [real] [real]| not set}} Description: {{TAG|EINT}} sets the energy interval for the calculation of the partial charge density in eV. Only bands within the energy interval {{TAG|EINT}} contribute to the partial charge density. {{NB| mind | The energies set in {{TAG|EINT}} are interpreted as total energies if {{TAGO|NBMOD|-2}}, but as relative to the Fermi energy <math>\epsilon_f</math> if {{TAGO|NBMOD|-3}}.}} ---- *{{TAG|EINT}}= [real1] [real2]: :If two v..."
23 January 2024
- 10:2910:29, 23 January 2024 diff hist +111 CHGCAR →Format
12 December 2023
- 09:3109:31, 12 December 2023 diff hist 0 Available pseudopotentials →Why VASP recommends PAW potentials
- 09:2609:26, 12 December 2023 diff hist +9,589 Available pseudopotentials →Ultrasoft pseudopotentials for LDA and PW91 (2002)
- 09:2209:22, 12 December 2023 diff hist +18,095 Available pseudopotentials →potpaw.52
- 09:1909:19, 12 December 2023 diff hist +31,576 Available pseudopotentials →For calculations involving mainly occupied states
- 08:3908:39, 12 December 2023 diff hist +22,199 Available pseudopotentials →For calculations involving mainly occupied states
- 08:3708:37, 12 December 2023 diff hist +8,277 Available pseudopotentials →For calculations involving mainly occupied states
- 08:3308:33, 12 December 2023 diff hist 0 Available pseudopotentials →For calculations involving unoccupied states
- 08:3008:30, 12 December 2023 diff hist +7,308 Available pseudopotentials →For calculations involving unoccupied states
4 December 2023
- 14:1314:13, 4 December 2023 diff hist +272 Available pseudopotentials →Ultrasoft pseudopotentials for LDA and PW91 (2002)
- 14:1114:11, 4 December 2023 diff hist −351 Available pseudopotentials →LDA (2010), PW91 (2006) and PBE (2010) PAW potentials
- 12:5812:58, 4 December 2023 diff hist +1,001 Available pseudopotentials →LDA (2010), PW91 (2006) and PBE (2010) PAW potentials
1 December 2023
- 16:5916:59, 1 December 2023 diff hist +9,220 Available pseudopotentials →For calculations involving mainly occupied states
- 16:5616:56, 1 December 2023 diff hist −2 Available pseudopotentials →For calculations involving unoccupied states
- 16:5516:55, 1 December 2023 diff hist +22,452 Available pseudopotentials →For calculations involving unoccupied states
- 16:5316:53, 1 December 2023 diff hist +536 Available pseudopotentials →potpaw.52
- 16:5216:52, 1 December 2023 diff hist +6 Available pseudopotentials →For calculations involving unoccupied states
- 16:4916:49, 1 December 2023 diff hist +259 Available pseudopotentials →For calculations involving unoccupied states
- 16:4516:45, 1 December 2023 diff hist −2 Available pseudopotentials →For calculations involving mainly occupied states
- 16:4416:44, 1 December 2023 diff hist +22,724 Available pseudopotentials →For calculations involving mainly occupied states
- 16:3716:37, 1 December 2023 diff hist −2 Available pseudopotentials →For calculations involving unoccupied states
- 16:3616:36, 1 December 2023 diff hist −10,070 Available pseudopotentials →For calculations involving unoccupied states
- 16:3116:31, 1 December 2023 diff hist +33,288 Available pseudopotentials →For calculations involving mainly occupied states
- 16:2916:29, 1 December 2023 diff hist +33,284 Available pseudopotentials →For calculations involving unoccupied states
19 October 2023
- 15:4115:41, 19 October 2023 diff hist −11 Preparing a POTCAR →Step-by-step instructions
- 15:4015:40, 19 October 2023 diff hist −10 Preparing a POTCAR →Step-by-step instructions
- 15:3915:39, 19 October 2023 diff hist −13 Preparing a POTCAR →Step-by-step instructions
- 15:3615:36, 19 October 2023 diff hist +12 Choosing pseudopotentials →Hydrogen-like atoms with fractional valence
- 15:3615:36, 19 October 2023 diff hist −26 Choosing pseudopotentials No edit summary
- 15:3515:35, 19 October 2023 diff hist −10 Choosing pseudopotentials No edit summary
- 15:3415:34, 19 October 2023 diff hist −39 Choosing pseudopotentials No edit summary
- 15:1615:16, 19 October 2023 diff hist +39 The VASP Manual →Featured topics
- 15:1415:14, 19 October 2023 diff hist +378 Choosing pseudopotentials →Recommendations and advice
- 15:1315:13, 19 October 2023 diff hist −388 Choosing pseudopotentials →Step-by-step instructions
- 15:1215:12, 19 October 2023 diff hist +1 Choosing pseudopotentials →Step-by-step instructions
- 15:1215:12, 19 October 2023 diff hist 0 Choosing pseudopotentials →Step-by-step instructions
- 15:1115:11, 19 October 2023 diff hist +8 Choosing pseudopotentials →Step-by-step instructions
- 15:1015:10, 19 October 2023 diff hist −17 Choosing pseudopotentials →Step-by-step instructions
- 15:0615:06, 19 October 2023 diff hist +7 Choosing pseudopotentials →Step-by-step instructions
- 15:0615:06, 19 October 2023 diff hist +77 Choosing pseudopotentials →Step-by-step instructions
- 15:0515:05, 19 October 2023 diff hist −17 Choosing pseudopotentials No edit summary
- 15:0415:04, 19 October 2023 diff hist −2 Choosing pseudopotentials No edit summary
- 15:0315:03, 19 October 2023 diff hist +7 Choosing pseudopotentials No edit summary
- 15:0215:02, 19 October 2023 diff hist +1 Choosing pseudopotentials No edit summary
- 14:3714:37, 19 October 2023 diff hist −16 Construction:Category:Pseudopotentials →POTCAR
- 14:3614:36, 19 October 2023 diff hist −4 Construction:Category:Pseudopotentials →POTCAR