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).
- 10:39, 20 October 2023 Huebsch talk contribs moved page Difficult to converge systems to Troubleshooting electronic convergence
- 10:33, 20 October 2023 Vaspmaster talk contribs created page Talk:RMM-DIIS (Created page with "There are a few things that remain to be done: * Describe the parallelization strategy (NSIM). * Discuss the things that may go wrong, e.g. "losing" a state. * Mention that a...")
- 10:30, 20 October 2023 Huebsch talk contribs moved page Construction:LSINGLES to LSINGLES without leaving a redirect
- 10:24, 20 October 2023 Vaspmaster talk contribs deleted page Construction:RMM-DIIS (content has been moved into the main namespace)
- 10:22, 20 October 2023 Schlipf talk contribs moved page Improved Dimer Method to Improved dimer method
- 10:20, 20 October 2023 Huebsch talk contribs moved page Computing the Workfunction to Computing the work function
- 09:56, 20 October 2023 Schlipf talk contribs moved page Construction:Command line arguments to Command-line arguments
- 09:49, 20 October 2023 Schlipf talk contribs moved page Category:Transition States to Category:Transition states
- 09:19, 20 October 2023 Huebsch talk contribs created page Constrained random-phase approximation (Redirected page to Category:Constrained-random-phase approximation) Tag: New redirect
- 09:18, 20 October 2023 Svijay talk contribs moved page Computing the workfunction to Computing the Workfunction
- 09:17, 20 October 2023 Svijay talk contribs moved page Construction:Computing the workfunction to Computing the workfunction
- 09:02, 20 October 2023 Vaspmaster talk contribs created page Construction:RMM-DIIS (Created page with "The implementation of the Residual Minimization Method with Direct Inversion in the Iterative Subspace (RMM-DIIS) in {{VASP}}{{cite|kresse:cms:1996}}{{cite|kresse:prb:96}} is...")
- 08:50, 20 October 2023 Tal talk contribs created page Construction:BSEPREC (Created page with "{{TAGDEF|BSEPREC|Low {{!}} Medium {{!}} High {{!}} Accurate | Medium}} Description: {{TAG|BSEPREC}} determines the precision for the time-evolution calculation in BSE and T...")
- 08:38, 20 October 2023 Schlipf talk contribs moved page Category:Elastic band method to Nudged elastic bands
- 08:25, 20 October 2023 Vaspmaster talk contribs deleted page Davidson iteration scheme (Has been replaced)
- 07:58, 20 October 2023 Huebsch talk contribs deleted page Construction:Category:Biased molecular dynamics (content was: "'''Biased molecular dynamics''' (MD) refers to advanced MD-simulation methods that introduce a ''bias potential''. One of the most important purposes of using bias potentials is to enhance the sampling of phase space with low probability density (e.g. transition regions of chemical reactions). Depending on the type of sampling and in combination w...", and the only contributor was "Karsai" (talk))
- 03:32, 20 October 2023 Svijay talk contribs moved page Talk:Monopole Dipole and Quadrupole corrections to Talk:Monopole Dipole and Quadrupole Corrections
- 03:32, 20 October 2023 Svijay talk contribs moved page Monopole Dipole and Quadrupole corrections to Monopole Dipole and Quadrupole Corrections
- 19:24, 19 October 2023 Vaspmaster talk contribs created page Talk:Blocked-Davidson algorithm (Created page with "Add information in the INCAR tags that control the behaviour of the blocked-Davidson algorithm: * block size (NSIM?) * maximum depth and other break-off criteria (NRMM, DEPER...")
- 19:14, 19 October 2023 Vaspmaster talk contribs moved page Construction:Blocked-Davidson algorithm to Blocked-Davidson algorithm without leaving a redirect
- 17:56, 19 October 2023 Vaspmaster talk contribs created page Construction:Blocked-Davidson algorithm (Created page with "The workflow of the blocked-Davidson iterative matrix diagonalization scheme implemented in {{VASP}} is as follows: * Take a subset (block) of <math>n_1</math> orbitals out...")
- 15:18, 19 October 2023 Vaspmaster talk contribs deleted page Self-Consistency Cycle (Replaced)
- 15:17, 19 October 2023 Vaspmaster talk contribs moved page Construction:Self-consistency cycle to Self-consistency cycle without leaving a redirect
- 14:28, 19 October 2023 Vaspmaster talk contribs created page File:SCC.png
- 14:28, 19 October 2023 Vaspmaster talk contribs uploaded File:SCC.png
- 13:39, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW PBE.54 orig UniVie release potentials for unoccupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</math> || 300.0 |- | H_h_GW || 1 || <math>1s^{1}</math> || 700.0 |- | He_GW || 2 || <math>1s^{2}</math> || 405.78 |- | Li_AE_GW || 3 ||...", and the only contributor was "Wolloch" (talk))
- 13:39, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW LDA.54 original UniVie release potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math> || 250.0 |- | H.25 || 0.25 || <math>1s^{0.25}</math> || 250.0 |- | H.33 || 0.33 || <math>1s^{0.33}</math> || 250.0 |- | H.42 || 0.4...", and the only contributor was "Wolloch" (talk))
- 13:39, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW PBE.54 original UniVie release potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math> || 250.0 |- | H.25 || 0.25 || <math>1s^{0.25}</math> || 250.0 |- | H.33 || 0.33 || <math>1s^{0.33}</math> || 250.0 |- | H.42 || 0.4...", and the only contributor was "Wolloch" (talk))
- 13:38, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW PBE.52 orig UniVie release potentials for unoccupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H_GW || 1 || <math>1s^{1}</math> || 300.0 |- | H_h_GW || 1 || <math>1s^{1}</math> || 700.0 |- | He_GW || 2 || <math>1s^{2}</math> || 405.78 |- | Li_AE_GW || 3 ||...", and the only contributor was "Wolloch" (talk))
- 13:38, 19 October 2023 Huebsch talk contribs deleted page Construction:Available PAW PBE.52 original UniVie release potentials for occupied states calculations (content was: "{| class="wikitable sortable" |- ! Potential name !! Number of valence electrons !! Valence electron configuration !! ENAMX [eV] |- | H || 1 || <math>1s^{1}</math> || 250.0 |- | H.25 || 0.25 || <math>1s^{0.25}</math> || 250.0 |- | H.33 || 0.33 || <math>1s^{0.33}</math> || 250.0 |- | H.42 || 0.4...", and the only contributor was "Wolloch" (talk))
- 13:25, 19 October 2023 Wolloch talk contribs moved page Construction:Lists of pseudopotentials to Construction:Available pseudopotentials over redirect
- 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")
- 13:17, 19 October 2023 Svijay talk contribs moved page Construction:Electrostatics to Category:Electrostatics
- 12:46, 19 October 2023 Wolloch talk contribs created page Pseudopotentials (Redirected page to Category:Pseudopotentials) Tag: New redirect
- 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.)
- 09:30, 18 October 2023 Schlipf talk contribs created page Construction:Command line arguments (Created page with "== --cpp-options / -c == == --dry-run / -n == == --link-line / -l == == --version / -v ==")
- 07:57, 18 October 2023 Svijay talk contribs moved page Construction:Computing-the-workfunction to Construction:Computing the workfunction
- 07:55, 18 October 2023 Svijay talk contribs created page Construction:Category:Electrostatics (Created page with "TODO")
- 19:38, 17 October 2023 Vaspmaster talk contribs created page Construction:Self-Consistency Cycle (Created page with "The following section discusses the minimization algorithms implemented in VASP. We generally have one outer loop in which the charge density is optimized, and one inner loop...")
- 19:36, 17 October 2023 Vaspmaster talk contribs created page Construction:Direct optimisation of the orbitals (Created blank page)
- 18:10, 17 October 2023 Vaspmaster talk contribs moved page Talk:Algorithms used in VASP to calculate the electronic groundstate to Talk:Self-Consistency Cycle without leaving a redirect
- 18:10, 17 October 2023 Vaspmaster talk contribs moved page Algorithms used in VASP to calculate the electronic groundstate to Self-Consistency Cycle without leaving a redirect
- 15:27, 17 October 2023 Jona talk contribs created page Construction:Category:Forces (Created page with "Tags and articles that deal with forces in VASP, e.g., the Hellmann-Feynman forces and machine-learned force fields. ---- The_...")
- 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== '...")
- 14:11, 17 October 2023 Tal talk contribs moved page Construction:Time-dependent density functional theory calculations to Construction:Time-dependent density-functional theory calculations
- 14:10, 17 October 2023 Tal talk contribs created page Construction:Time-dependent density functional theory calculations (Created page with "VASP offers a powerful module for performing time-dependent density functional theory (TDDFT) or time-dependent Hartree-Fock (TDHF) calculations in the Casida formulation {{ci...")
- 14:08, 17 October 2023 Svijay talk contribs created page File:Workfunction potentials.png (Schematic that illustrates the potentials as they vary along the surface normal for a calculation where the workfunction is to be determined.)
- 14:08, 17 October 2023 Svijay talk contribs uploaded File:Workfunction potentials.png (Schematic that illustrates the potentials as they vary along the surface normal for a calculation where the workfunction is to be determined.)
- 13:39, 17 October 2023 Svijay talk contribs created page Construction:Computing-the-workfunction (Created page with "The workfunction is defined as the work needed to move an electron from a surface to a point in vacuum sufficiently far away from this surface. It is a central quantity in sur...")
- 12:39, 17 October 2023 Miranda.henrique talk contribs created page Vaspin.h5 (Created page with "{{DISPLAYTITLE:vaspin.h5}} This file can be used to replace the typical {{FILE|INCAR}}, {{FILE|POSCAR}}, {{FILE|POTCAR}}, and {{FILE|KPOINTS}} files using a single HDF5 file....")
- 12:31, 17 October 2023 Miranda.henrique talk contribs created page Vaspout.h5 (Created page with "{{DISPLAYTITLE:vaspout.h5}} The {{FILE|vaspout.h5}} file is a hierarchical HDF5 file containing the inputs and outputs of a VASP calculation. To analyze the data in this file...")