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Combined display of all available logs of VASP Wiki. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).

• 13:25, 19 October 2023 Wolloch talk contribs deleted redirect Construction:Available pseudopotentials by overwriting (Deleted to make way for move from "Construction:Lists of pseudopotentials")
• 12:46, 19 October 2023 Wolloch talk contribs created page Pseudopotentials (Redirected page to Category:Pseudopotentials) Tag: New redirect
• 08:23, 19 October 2023 Wolloch talk contribs created page Construction:Theory:Pseudopotential basics (Created page with "The purpose of pseudopotentials is to reproduce the single-electron orbitals and eigenvalues of the full potential for the valence electrons above a certain radius <math>r_{c}...")
• 07:50, 19 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.52 original UniVie release potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math>...")
• 13:59, 18 October 2023 Wolloch talk contribs moved page Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states to Construction:Recommended PAW potentials for calculations involving unoccupied states over redirect
• 13:59, 18 October 2023 Wolloch talk contribs deleted redirect Construction:Recommended PAW potentials for calculations involving unoccupied states by overwriting (Deleted to make way for move from "Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states")
• 13:51, 18 October 2023 Wolloch talk contribs moved page Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states to Construction:Construction:Recommended PAW potentials for calculations involving unoccupied states
• 13:50, 18 October 2023 Wolloch talk contribs moved page Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states to Construction:Recommended PAW potentials for calculations of mainly occupied states
• 13:39, 18 October 2023 Wolloch talk contribs moved page Construction:Recommended PAW potentials for calculations involving unoccupied states to Construction:Construction:Recommended PAW potentials for calculations of mainly occupied states
• 13:37, 18 October 2023 Wolloch talk contribs created page Construction:Recommended PAW potentials for calculations involving unoccupied states (Created page with "The table below highlights recommended PAW potentials in '''bold'''. These potentials are not ideal for calculations involving a large number of excited states as needed e.g....")
• 13:26, 18 October 2023 Wolloch talk contribs created page Construction:Choosing pseudopotentials (Created page with "For many elements several pseudopotential choices exist. The usual tradeoff between computational cost and accuracy and transferability applies. The choice of Construction:P...")
• 13:11, 18 October 2023 Wolloch talk contribs moved page Construction:Available pseudopotentials to Construction:Lists of pseudopotentials
• 11:56, 18 October 2023 Wolloch talk contribs created page Construction:Available USPP LDA potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H.75 || 0.75 || 200.0 |- | H1.25 || 1.2...")
• 11:56, 18 October 2023 Wolloch talk contribs created page Construction:Available USPP PW91 potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H_200eV || 1 || 200.0 |- | H_soft || 1...")
• 11:55, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PW91 (2006) potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H || 1 || 250.0 |- | H.5 || 0.5 || 250....")
• 11:54, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA (2010) potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H_GW || 1 || 400.725 |- | H_h_GW || 1 |...")
• 11:50, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA (2010) potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | Free || 0 || 250.0 |- | H || 1 || 250.0...")
• 11:49, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE (2010) potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | H || 1 || 250.0 |- | H.5 || 0.5 || 250....")
• 11:47, 18 October 2023 Wolloch talk contribs moved page Construction:Available PAW PBE potentials for unoccupied states calculations to Construction:Available PAW PBE (2010) potentials for unoccupied states calculations
• 11:46, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! ENAMX [eV] |- | C_GW || 4 || 413.992 |- | N_s_GW || 5 |...")
• 11:42, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA.52 orig UniVie release potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:41, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.52 orig UniVie release potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:39, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA.54 orig UniVie release potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:38, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA.54 original UniVie release potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math>...")
• 11:37, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.54 orig UniVie release potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:37, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.54 original UniVie release potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math>...")
• 11:35, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA.52 potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:34, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA.52 potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math>...")
• 11:29, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.52 potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:29, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.52 potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math>...")
• 11:28, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA.54 potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:27, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA.54 potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math>...")
• 11:26, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.54 potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:26, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.54 potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math>...")
• 11:24, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA.64 potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:21, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.64 potentials for unoccupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</ma...")
• 11:01, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW LDA.64 potentials for occupied states calculations (Created page with "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1.0}<...")
• 10:41, 18 October 2023 Wolloch talk contribs created page Construction:Available PAW PBE.64 potentials for occupied states calculations (Created page with " {| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1.0}</m...")
• 10:23, 18 October 2023 Wolloch talk contribs moved page Construction:Available PAW potentials to Construction:Available pseudopotentials
• 14:17, 17 October 2023 Wolloch talk contribs created page Construction:Prepare a POTCAR (Created page with "The {{FILE|POTCAR}} is a VASP input file which holds the pseudopotentials and needs to be present in the execution directory for VASP to run. ==Step-by-step instructions== '...")
• 08:59, 17 October 2023 Wolloch talk contribs moved page Construction:List of all GW/RPA-PAW potentials to Construction:List of all GW-PAW potentials
• 08:58, 17 October 2023 Wolloch talk contribs created page Construction:List of all GW/RPA-PAW potentials (Created page with "This list contains all PAW potentials optimized for correlated electron calculations. {| class="wikitable sortable" |- ! Potential...")
• 08:46, 17 October 2023 Wolloch talk contribs created page Construction:List of all DFT-PAW potentials (Created page with "The following list contains all DFT-PAW pseudopotentials except hydrogen like potentials with fractional valence. {| clas...")
• 13:20, 16 October 2023 Wolloch talk contribs created page Construction:Available PAW potentials (Created page with "Projector augmented wave (PAW) potentials are available for all elements in the periodic table from the VASP Portal. These are pseudopotentials for the PAW method and are stor...")
• 15:09, 13 October 2023 Wolloch talk contribs created page Construction:POTCAR (Created page with "The {{FILE|POTCAR}} file is a mandatory VASP input file. It contains the pseudopotential for each atomic species used in the calculation. {{NB| important | The {{FILE|POTCAR}}...")
• 10:30, 12 October 2023 Wolloch talk contribs created page File:Sketch Pseudopotentials.png (A Sketch taken from Wikipedia (https://de.wikipedia.org/wiki/Pseudopotential) which illustrates the basic concept of a pseudopotential.)
• 10:30, 12 October 2023 Wolloch talk contribs uploaded File:Sketch Pseudopotentials.png (A Sketch taken from Wikipedia (https://de.wikipedia.org/wiki/Pseudopotential) which illustrates the basic concept of a pseudopotential.)
• 09:10, 12 October 2023 Wolloch talk contribs moved page Construction:Pseudo potentials to Construction:Category:Pseudopotentials (I think that pseudopotential is really the preferred spelling. On the Wiki both "pseudo potential" and "pseudopotential" are used, but the latter is much more common in literature)
• 08:55, 12 October 2023 Wolloch talk contribs moved page Category:Pseudo potentials to Construction:Pseudo potentials (Mistakes where made)
• 08:54, 12 October 2023 Wolloch talk contribs created page Category:Pseudo potentials (Created page with "Pseudo potentials, or sometimes effective potentials, are commonly used to speed up electronic structure calculations. The main idea is to separate the valence electrons from...")