All public logs

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).

• 12:36, 19 October 2023 Vaspmaster talk contribs moved page Construction:Self-Consistency Cycle to Construction:Self-consistency cycle without leaving a redirect
• 12:27, 19 October 2023 Vaspmaster talk contribs moved page Construction:Direct optimisation of the orbitals to Direct optimization of the orbitals without leaving a redirect
• 09:54, 19 October 2023 Huebsch talk contribs moved page Construction:Welcome to Welcome without leaving a 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>...")
• 07:40, 19 October 2023 Miranda.henrique talk contribs created page Construction:Potcar.h5 (Created page with "{{DISPLAYTITLE:potcar.h5}} Also as of VASP 6.2.0, it is possible to have all the POTCARs distributed with VASP loaded from a single HDF5 file called {{FILE|potcar.h5}}. To spe...")
• 14:10, 18 October 2023 Svijay talk contribs moved page Electrostatics to Construction:Electrostatics
• 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
• 13:11, 18 October 2023 Svijay talk contribs created page Electrostatics (Created page with "== How to == Practical guide to electrostatic corrections implemented in VASP * Monopole, Dipole and Quadrupole corrections * [...")
• 12:18, 18 October 2023 Ftran talk contribs moved page Construction:LRHFCALC to LRHFCALC
• 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...")
• 11:09, 18 October 2023 Schlipf talk contribs created page Construction:Nudged elastic bands (Created page with "The nudged elastic band (NEB) method[1][2] is a technique used to calculate energy barriers in VASP. When employing this method, the SPRING parameter is set to a negative valu...")
• 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...")
• 10:40, 18 October 2023 Schlipf talk contribs created page Construction:IMAGES (Created page with "{{TAGDEF|IMAGES|[integer]|0}} Description: {{TAG|IMAGES}} defines how many instances of VASP are started. These instances execute VASP calculations in separate directories 01...")
• 10:23, 18 October 2023 Wolloch talk contribs moved page Construction:Available PAW potentials to Construction:Available pseudopotentials
• 10:10, 18 October 2023 Singraber talk contribs created page Template:TAGO (Created page with "{{#if: {{{2|}}} | <code>[[{{{1}}}]] = {{{2|}}}</code> | [[{{{1}}}]] }}<noinclude> == Purpose == Prints a link to an {{FILE|INCAR}} tag, optionally as <code>TAG = value</code...")
• 10:08, 18 October 2023 Singraber talk contribs created page Construction:Template:TAGO (Created page with "{{#if: {{{2|}}} | <code>[[{{{1}}}]] = {{{2|}}}</code> | [[{{{1}}}]] }}<noinclude> == Purpose == Prints a link to an {{FILE|INCAR}} tag, optionally as <code>TAG = value</code...")
• 09:46, 18 October 2023 Svijay talk contribs created page File:Nelect charged systems.png (Results from example calculations illustrating the change in energy as the cell dimension is changed with setting the NELECT tag.)
• 09:46, 18 October 2023 Svijay talk contribs uploaded File:Nelect charged systems.png (Results from example calculations illustrating the change in energy as the cell dimension is changed with setting the NELECT tag.)