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).

• 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...")
• 11:54, 17 October 2023 Ftran talk contribs created page Construction:LRHFCALC (Created page with "{{TAGDEF|LHFCALC|.TRUE. {{!}} .FALSE. |.FALSE.}} Description: {{TAG|LHFCALC}} specifies whether a Hartree-Fock/DFT hybrid functional type calculation is performed. ---- If on...")
• 11:44, 17 October 2023 Schlipf talk contribs created page File:Bandgap.png (Illustrates how the relative position of two bands changes a system from a semiconductor to a metal.)
• 11:44, 17 October 2023 Schlipf talk contribs uploaded File:Bandgap.png (Illustrates how the relative position of two bands changes a system from a semiconductor to a metal.)
• 11:39, 17 October 2023 Schlipf talk contribs created page File:Bandgap.pdf (Illustrates how the relative position of two bands changes a system from a semiconductor to a metal.)
• 11:39, 17 October 2023 Schlipf talk contribs uploaded File:Bandgap.pdf (Illustrates how the relative position of two bands changes a system from a semiconductor to a metal.)
• 11:34, 17 October 2023 Schlipf talk contribs created page Construction:BANDGAP (Created page with "{{TAGDEF|BANDGAP|COMPACT {{!}} WEIGHT {{!}} KPOINT|COMPACT}} Description: {{TAG|BANDGAP}} determines the verbosity of the output for reporting the bandgap to the OUTCAR file....")
• 11:34, 17 October 2023 User account Svijay talk contribs was created by Vaspmaster talk contribs
• 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 Miranda.henrique talk contribs created page Vaspwave.h5 (Created page with "The {{FILE|vapwave.h5}} file is the hdf5 counterpart of the {{FILE|WAVECAR}} and {{FILE|CHGCAR}} files. This file contains the orbitals in case {{TAG|LWAVEH5}}=.TRUE. is set i...")
• 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...")
• 16:33, 16 October 2023 Tal talk contribs moved page Construction:Plotting the BSE fatband structure to Plotting the BSE fatband structure
• 16:26, 16 October 2023 Tal talk contribs created page Construction:Category:Time-dependent density functional theory (Created page with "The formalism of the Bethe-Salpeter equation (BSE) allows for calculating the polarizability with the electron-hole interaction and constitutes the state of the art for calcul...")
• 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}}...")
• 10:44, 13 October 2023 Huebsch talk contribs created page Construction:Welcome (Created page with "Let us take a tour through the resources that are available to you as a VASP user! == Become a VASP user == The standard way to become a VASP user is that the head of your r...")