User contributions for Wolloch

13:3613:36, 12 June 2024 diff hist 0‎ m ENMIN ‎ Wolloch moved page ENMIN to Construction:ENMIN: Maybe needs review
13:2713:27, 12 June 2024 diff hist +724‎ N ENMIN ‎ Created page with "{{TAGDEF|ENMIN|[real]|value read from {{FILE|POTCAR}}}} Description: {{TAG|ENMIN}} describes the minimum viable plane-wave energy cutoff in eV for the pseudopotential it is read from. ---- For a multi-element {{FILE|POTCAR}} file, the maximum {{TAG|ENMIN}} determines the absolutely lowest cutoff energy for the plane-wave basis that should be used. By default, VASP will use the largest ''recommended'' cutoff energy {{TAG|ENMAX}} found in..."
13:2213:22, 12 June 2024 diff hist +1‎ TITEL ‎ →‎Related tags and articles
13:1213:12, 12 June 2024 diff hist +2,076‎ Category:Pseudopotentials ‎No edit summary
13:0513:05, 12 June 2024 diff hist +2,215‎ N TITEL ‎ Created page with "{{TAGDEF|TITEL|[string]}} Definition: The {{TAG|TITEL}}<ref>Note that "Titel" is the German translation of the English word "title"</ref> tag specifies the title of a specific {{FILE|POTCAR}} file. It is also the first line of any {{FILE|POTCAR}} file. It is not possible nor necessary to set this tag in the {{FILE|INCAR}} file. ----- The {{FILE|POTCAR}} tag {{TAG|TITEL}} is a string composed of: * the type of pseudopotential (either PAW for the projector-augmented-wav..."
12:2212:22, 12 June 2024 diff hist +1‎ POTCAR ‎ →‎File format current
12:1112:11, 12 June 2024 diff hist 0‎ m LEXCH ‎ transferability is well -> transferability is good current Tag: Visual edit
10:5810:58, 12 June 2024 diff hist +270‎ EFOR ‎No edit summary
10:5410:54, 12 June 2024 diff hist +1,142‎ EFOR ‎ →‎Output
10:4510:45, 12 June 2024 diff hist −70‎ EFOR ‎ →‎Periodic boundary conditions
10:4010:40, 12 June 2024 diff hist +5‎ EFOR ‎No edit summary
10:3910:39, 12 June 2024 diff hist +33‎ EFOR ‎ →‎Setting external forces
10:3510:35, 12 June 2024 diff hist +731‎ EFOR ‎ →‎Periodic boundary conditions
09:0009:00, 12 June 2024 diff hist +329‎ Template:Cite ‎No edit summary
08:2508:25, 12 June 2024 diff hist +21‎ EFOR ‎ →‎Symmetry considerations
08:2208:22, 12 June 2024 diff hist +41‎ EFOR ‎ →‎Setting external forces

14:3714:37, 11 June 2024 diff hist −6‎ Preparing a POTCAR ‎ →‎Example for preparing a {{FILE|POTCAR}} for the Heusler alloy TiCo_2Si
14:2514:25, 11 June 2024 diff hist 0‎ Available pseudopotentials ‎ →‎Standard potentials
14:2314:23, 11 June 2024 diff hist −1‎ Available pseudopotentials ‎ →‎Different variants specified by the suffix
14:2214:22, 11 June 2024 diff hist +3,141‎ Available pseudopotentials ‎ →‎Ultrasoft pseudopotentials for LDA and PW91 (2002)
14:2014:20, 11 June 2024 diff hist +1,842‎ Available pseudopotentials ‎ →‎GW potentials
14:1814:18, 11 June 2024 diff hist +1‎ Available pseudopotentials ‎ →‎Standard potentials
14:1614:16, 11 June 2024 diff hist +9,625‎ Available pseudopotentials ‎ →‎Standard potentials
14:1414:14, 11 June 2024 diff hist +4,688‎ Available pseudopotentials ‎ →‎GW potentials
14:1314:13, 11 June 2024 diff hist +7,174‎ Available pseudopotentials ‎ →‎Standard potentials
14:1214:12, 11 June 2024 diff hist +5,504‎ Available pseudopotentials ‎ →‎GW potentials
14:1114:11, 11 June 2024 diff hist +7,230‎ Available pseudopotentials ‎ →‎Standard potentials
14:1014:10, 11 June 2024 diff hist −1‎ Available pseudopotentials ‎ →‎Available pseudopotential sets
14:0914:09, 11 June 2024 diff hist +18‎ Available pseudopotentials ‎ →‎Available pseudopotential sets
14:0714:07, 11 June 2024 diff hist +7,326‎ Available pseudopotentials ‎ →‎Standard potentials
14:0514:05, 11 June 2024 diff hist +5,553‎ Available pseudopotentials ‎ →‎GW potentials
10:4510:45, 11 June 2024 diff hist +1,181‎ EFOR ‎ →‎Symmetry and periodic boundary conditions
10:2810:28, 11 June 2024 diff hist −127‎ EFOR ‎No edit summary
10:2810:28, 11 June 2024 diff hist +471‎ EFOR ‎No edit summary
10:0210:02, 11 June 2024 diff hist +1,856‎ EFOR ‎No edit summary

15:1815:18, 10 June 2024 diff hist +624‎ N EFOR ‎ Created page with "{{TAGDEF|EFOR|[real array]}} {{DEF|EFOR|3 * NIONS * 0.0 |}} Description: {{TAG|EFOR}} sets external forces on each atom in the cartesian x-, y-, and z-directions. ---- Describe the general function of this tag and introduce all acronyms, symbols, or formulas required to understand multiple tag options. The details of the tag options are discussed below. If an abbreviation, e.g., PAW, is used in many articles, link it to the main article or category. Otherwise, the acron..."