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).

• 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...")
• 07:24, 13 October 2023 Ftran talk contribs created page Construction:PREC (Created page with "{{TAGDEF|PREC|Low {{!}} Medium {{!}} High {{!}} Normal {{!}} Single {{!}} Accurate}} {{DEF|PREC|Medium|for VASP.4.X|Normal|for VASP.5.X}} Description: {{TAG|PREC}} specifies...")
• 14:19, 12 October 2023 Pmelo talk contribs created page Construction:Category:Dielectric Functions (Created page with "The dielectric function <math>\epsilon(\mathbf q,\omega)</math> descrives the electric response of a system when perturbed by an external electric field. Depending on the ori...")
• 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...")
• 07:53, 12 October 2023 Ftran talk contribs created page Construction:GGA COMPAT (Created page with "{{DISPLAYTITLE:GGA_COMPAT}} {{TAGDEF|GGA_COMPAT|.TRUE. {{!}} .FALSE. |.TRUE.}} Description: This flag restores the full lattice symmetry for gradient corrected functionals. -...")
• 11:58, 5 October 2023 Karsai talk contribs created page Construction:Category:Biased molecular dynamics (Created page with "== Theoretical background == The probability density for a geometric parameter ξ of the system driven by a Hamiltonian: :<math> H(q,p) = T(p) + V(q), \; </math> with ''T''...")
• 12:25, 4 October 2023 User account Pmelo talk contribs was created by Vaspmaster talk contribs
• 11:59, 4 October 2023 Huebsch talk contribs created page MD (Redirected page to Category:Molecular dynamics) Tag: New redirect
• 07:33, 3 October 2023 Huebsch talk contribs created page MLFF (Redirected page to Category:Machine-learned force fields) Tag: New redirect
• 09:44, 29 September 2023 Kaltakm talk contribs deleted page Contstruction:LSINGLES (content was: "{{TAGDEF|LSINGLES|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: calculate singles contribution to correlation energy using GW algorithms.{{cite|klimes:jcp:143}} ---- This tag can be used to calculate the singles contributions to the correlation energy that can be represented by following Feynman (time-ordered) diagrams:{{cite|kaltak:thesis2015}}{{cite|klimes:jcp:143}} File:S...", and the only contributor was "Kaltakm" (talk))
• 09:44, 29 September 2023 Kaltakm talk contribs created page Construction:LSINGLES (Created page with "{{TAGDEF|LSINGLES|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: calculate singles contribution to correlation energy using GW algorithms.{{cite|klimes:jcp:143}} ---- This tag c...")
• 06:44, 29 September 2023 Huebsch talk contribs moved page Matsubara Formalism to Matsubara formalism
• 09:46, 21 September 2023 Huebsch talk contribs created page File:Spinor-space-example-saxis.png
• 09:46, 21 September 2023 Huebsch talk contribs uploaded File:Spinor-space-example-saxis.png
• 09:28, 21 September 2023 Huebsch talk contribs created page File:Saxis-angles.png