User contributions for Wolloch

12 June 2024

• 14:1514:15, 12 June 2024 diff hist +18‎ N Construction:EAUG ‎ Wolloch moved page Construction:EAUG to EAUG current Tag: New redirect
• 14:1514:15, 12 June 2024 diff hist 0‎ m EAUG ‎ Wolloch moved page Construction:EAUG to EAUG current
• 14:1514:15, 12 June 2024 diff hist +19‎ N Construction:ENMIN ‎ Wolloch moved page Construction:ENMIN to ENMIN over redirect current Tag: New redirect
• 14:1514:15, 12 June 2024 diff hist 0‎ m ENMIN ‎ Wolloch moved page Construction:ENMIN to ENMIN over redirect current
• 14:1514:15, 12 June 2024 diff hist +19‎ N Construction:TITEL ‎ Wolloch moved page Construction:TITEL to TITEL current Tag: New redirect
• 14:1514:15, 12 June 2024 diff hist 0‎ m TITEL ‎ Wolloch moved page Construction:TITEL to TITEL current
• 14:1414:14, 12 June 2024 diff hist −1‎ TITEL ‎ →‎Examples
• 14:0914:09, 12 June 2024 diff hist −8‎ Choosing pseudopotentials ‎ →‎Related tags and sections
• 14:0214:02, 12 June 2024 diff hist +74‎ Choosing pseudopotentials ‎ →‎f-elements
• 14:0114:01, 12 June 2024 diff hist +74‎ Choosing pseudopotentials ‎ →‎d-elements
• 13:5813:58, 12 June 2024 diff hist +155‎ Choosing pseudopotentials ‎ →‎First-row elements
• 13:5413:54, 12 June 2024 diff hist +518‎ Choosing pseudopotentials ‎No edit summary
• 13:4713:47, 12 June 2024 diff hist +135‎ ENMIN ‎No edit summary
• 13:4513:45, 12 June 2024 diff hist +716‎ N EAUG ‎ Created page with "{{TAGDEF|EAUG|[real]|value read from {{FILE|POTCAR}}}} Description: {{TAG|EAUG}} specifies the energy cutoff for the plane-wave representation for the augmentation charges in eV for the pseudopotential it is read from. ---- For a multi-element {{FILE|POTCAR}} file, the maximum {{TAG|EAUG}} determines the cutoff energy for the plane-wave representation of the augmentation charges. {{NB|deprecated|The value of {{TAG|EAUG}} can be overwritten by setting {{TAG|ENAUG}} in..."
• 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 Construction:EFOR ‎No edit summary
• 10:5410:54, 12 June 2024 diff hist +1,142‎ Construction:EFOR ‎ →‎Output
• 10:4510:45, 12 June 2024 diff hist −70‎ Construction:EFOR ‎ →‎Periodic boundary conditions
• 10:4010:40, 12 June 2024 diff hist +5‎ Construction:EFOR ‎No edit summary
• 10:3910:39, 12 June 2024 diff hist +33‎ Construction:EFOR ‎ →‎Setting external forces
• 10:3510:35, 12 June 2024 diff hist +731‎ Construction: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 Construction:EFOR ‎ →‎Symmetry considerations
• 08:2208:22, 12 June 2024 diff hist +41‎ Construction:EFOR ‎ →‎Setting external forces

11 June 2024

• 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 Construction:EFOR ‎ →‎Symmetry and periodic boundary conditions
• 10:2810:28, 11 June 2024 diff hist −127‎ Construction:EFOR ‎No edit summary
• 10:2810:28, 11 June 2024 diff hist +471‎ Construction:EFOR ‎No edit summary
• 10:0210:02, 11 June 2024 diff hist +1,856‎ Construction:EFOR ‎No edit summary

10 June 2024

• 15:1815:18, 10 June 2024 diff hist +624‎ N Construction: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..."