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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).

10:20, 6 November 2023 Tbucko talk contribs created page IRC MAXSTEP (Created page with "{{DISPLAYTITLE:IRC_MAXSTEP}} {{TAGDEF|IRC_MAXSTEP|real | 3.000}} Description: {{TAG|IRC_MAXSTEP}} defines the smallest allowed size of step (in fs) used in the {{TAG|IRC calc...")
10:19, 6 November 2023 Tbucko talk contribs created page IRC MINSTEP (Created page with "{{DISPLAYTITLE:IRC_MINSTEP}} {{TAGDEF|IRC_MINSTEP|real | 0.0250}} Description: {{TAG|IRC_MINSTEP}} defines the smallest allowed size of step used in the {{TAG|IRC calculation...")
10:16, 6 November 2023 Tbucko talk contribs created page IRC DELTA0 (Created page with "{{DISPLAYTITLE:IRC_DELTA0}} {{TAGDEF|IRC_STOP|real | 0.0015}} Description: {{TAG|IRC_DELTA0}} defines the tolerance factor <math>\Delta_0</math> in Å used in the {{TAG...")
10:13, 6 November 2023 Tbucko talk contribs created page IRC STOP (Created page with "{{DISPLAYTITLE:IRC_STOP}} {{TAGDEF|IRC_STOP|integer | 20}} Description: {{TAG|IRC_STOP}} defines the number of steps taken in the {{TAG|IRC calculations}} in which the energy...") Tag: Visual edit: Switched
10:02, 6 November 2023 Tbucko talk contribs created page IRC DIRECTION (Created page with "{{DISPLAYTITLE:IRC_DIRECTION}} {{TAGDEF|IRC_DIRECTION|-1 {{!}} 1 {{!}} | 1}} Description: {{TAG|TI_LAMBDA}} defines the coupling parameter <math>\lambda</math> used in :Cat...") Tag: Visual edit: Switched
11:01, 2 November 2023 Tbucko talk contribs created page HESSEMAT (Created page with "{{FILE|HESSEMAT}}) defines the Hesse matrix in Cartesian coordinates for the use in :Category:Thermodynamic integration with harmonic reference|Thermodynamic integration wi...") Tag: Visual edit: Switched
08:45, 2 November 2023 Tbucko talk contribs created page TI LAMBDA (Created page with "{{DISPLAYTITLE:TI_LAMBDA}} {{TAGDEF|TI_LAMBDA|real | 0.0}} Description: {{TAG|TI_LAMBDA}} defines the coupling parameter <math>\lambda</math> used in :Category:Thermodynam...")
07:31, 1 November 2023 Tbucko talk contribs created page Category:Thermodynamic integration with harmonic reference (Created page with "The Helmholtz free energy (<math>A</math>) of a fully interacting system (1) can be expressed in terms of that of harmonic system (0) as follows :<math> A_{1} = A_{0} + \Delt...")
15:38, 31 October 2023 Huebsch talk contribs deleted page Construction:GGA COMPAT (content was: "{{DISPLAYTITLE:GGA_COMPAT}} {{TAGDEF|GGA_COMPAT|.TRUE. {{!}} .FALSE. |.TRUE.}} Description: If set to {{TAG|GGA_COMPAT}} = .''FALSE''., this flag restores the full lattice symmetry for gradient corrected functionals. ---- Gradient corrected functionals might break the symmetry of the Bravais lattice slightly for non cubic cells (this includes primitive fcc and bcc lattices). The o...", and the only contributor was "Ftran" (talk))
15:38, 31 October 2023 Huebsch talk contribs deleted page Construction:PREC (content was: "{{TAGDEF|PREC|Normal {{!}} Single {{!}} SingleN {{!}} Accurate {{!}} Low {{!}} Medium {{!}} High}} {{DEF|PREC|Medium|for VASP.4.X|Normal|since VASP.5.X}} Description: {{TAG|PREC}} specifies the "precision" mode. ---- {{TAG|PREC}} sets default values for the energy cutoff {{TAG|ENCUT}}, the FFT grids ({{TAG|NGX}},{{TAG|NGY}},{{TAG|NGZ}}) and ({{TAG|NGXF}},{{TAG|NGYF}},{{TAG|NGZF}}),...", and the only contributor was "Ftran" (talk))
15:38, 31 October 2023 Tbucko talk contribs created page FML ACTIVE (Created page with "{{DISPLAYTITLE:FML_ACTIVE}} {{TAGDEF|FML_ACTIVE|logical (aray)}} Description: {{TAG|FML_ACTIVE}} specifies whether or not (.TRUE. or .FALSE., respectively) an atomic types a...")
15:32, 31 October 2023 Tbucko talk contribs created page FML PERIOD (Created page with "{{DISPLAYTITLE:FML_PERIOD}} {{TAGDEF|FML_PERIOD|integer | 10}} Description: {{TAG|FML_PERIOD}} defines the number of time steps between two swapping events == Related tags...")
15:23, 31 October 2023 Tbucko talk contribs created page FML SWAPNUM (Created page with "{{DISPLAYTITLE:FML_SWAPNUM}} {{TAGDEF|FML_SWAPNUM|integer | 1}} Description: {{TAG|FML_SWAPNUM}} defines the number pairs of particles exchanged in a single swapping event of...")
15:10, 31 October 2023 Tbucko talk contribs created page FML SNUMBER (Created page with "{{DISPLAYTITLE:FML_SNUMBER}} {{TAGDEF|FML_SNUMBER|integer {{!}} | 10}} Description: {{TAG|FML_SNUMBER}} defines the index of the lattice vector <math>a_i</math> along which t...")
15:05, 31 October 2023 Tbucko talk contribs created page FML DIRECTION (Created page with "{{DISPLAYTITLE:FML_DIRECTION}} {{TAGDEF|VDW_RADIUS|1 {{!}} 2{{!}} 3{{!}}}} Description: {{TAG|FML_RADIUS}} defines the")
14:31, 30 October 2023 Tbucko talk contribs created page Müller-Plathe method (Created page with "The thermal conductivity $\lambda$ is defined by equation $J = \lambda \nabla T$")
12:30, 30 October 2023 Huebsch talk contribs moved page LDISENTANGLE to LDISENTANGLED without leaving a redirect
09:04, 26 October 2023 Tal talk contribs moved page Plot BSE fatband to Plot BSE fatbands
09:04, 26 October 2023 Tal talk contribs moved page Plotting the BSE fatband structure to Plot BSE fatband
15:49, 23 October 2023 Huebsch talk contribs moved page Construction:Category:Dielectric Functions to Construction:Category:Dielectric properties without leaving a redirect
09:16, 23 October 2023 Huebsch talk contribs moved page Computing the phonon dispersion to Computing the phonon dispersion and DOS without leaving a redirect
08:23, 23 October 2023 Huebsch talk contribs created page Exchange-correlation functional (Redirected page to Category:Exchange-correlation functionals) Tag: New redirect
07:29, 23 October 2023 Miranda.henrique talk contribs deleted page Construction:HDF5 support (content was: "Since VASP 6.2.0 we started supporting the feature of reading and writing hdf5 files. The HDF5 file format {{cite|hdf5format:web}} is a hierarchical data file designed to store large amounts of numeric data. This file format combines the flexibility and hierarchy of an XML file with the speed and size economy of binary files. The writing and reading...", and the only contributor was "Miranda.henrique" (talk))
15:56, 20 October 2023 Vaspmaster talk contribs created page Talk:Self-consistency cycle (Created page with "* Explain why we turn to iterative matrix diagonalization instead of simply diagonalizing the Hamiltonian in the plane-wave basis.")
14:53, 20 October 2023 Miranda.henrique talk contribs created page Category:HDF5 support (Created page with "Since VASP 6.2.0 we started supporting the feature of reading and writing hdf5 files. The HDF5 file format {{cite|hdf5format:web}} is a hierarchical data file designed to stor...")
11:59, 20 October 2023 Tal talk contribs moved page Construction:BSEPREC to BSEPREC
11:59, 20 October 2023 Tal talk contribs moved page Construction:IBSE to IBSE
11:48, 20 October 2023 Huebsch talk contribs moved page Construction:Category:Forces to Category:Forces without leaving a redirect
11:48, 20 October 2023 Huebsch talk contribs deleted page Category:Forces (Deleted to make way for move from "Construction:Category:Forces")
11:46, 20 October 2023 Huebsch talk contribs moved page Construction:IMAGES to IMAGES without leaving a redirect
11:46, 20 October 2023 Huebsch talk contribs deleted page IMAGES (Deleted to make way for move from "Construction:IMAGES")
11:26, 20 October 2023 Huebsch talk contribs moved page Construction:Nudged elastic bands to Nudged elastic bands without leaving a redirect
11:26, 20 October 2023 Huebsch talk contribs deleted page Nudged elastic bands (Deleted to make way for move from "Construction:Nudged elastic bands")
10:41, 20 October 2023 Tal talk contribs created page Construction:IBSE (Created page with "{{TAGDEF|IBSE|[integer]}} {{DEF|IBSE| 0 | }} Description: {{TAG|IBSE}} can be used to select the algorithm for solving the Bethe-Salpeter or Casida equation. ---- The follow...")
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))