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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).

14:43, 10 January 2024 Karsai talk contribs created page Construction:ML RDES SPARSDES (Created page with "{{DISPLAYTITLE:ML_RDES_SPARSDES}} {{TAGDEF|ML_RDES_SPARSDES|[real]|0.5}} Description: Sets the ratio of descriptors kept during angular-descriptor sparsification. ---- During angular-descriptor sparsification ({{TAG|ML_LSPARSDES}}=T), insignificant angular descriptors are removed based on a leverage scoring. The percentage of angular descriptors that are kept is determined by the value of {{...")
12:30, 10 January 2024 Karsai talk contribs created page Construction:ML LSPARSDES (Created page with "{{DISPLAYTITLE:ML_LSPARSDES}} {{TAGDEF|ML_LSPARSDES|[logical]|.FALSE.}} Description: Specifies whether angular-descriptor sparsification is enabled within the machine learning force field method. {{NB|mind|This tag is only available as of VASP 6.5.0.}} ---- To use the sparsification of angular descriptors set the following tags: *{{TAG|ML_LSPARSDES}}=''.TRUE.''. *The ratio of the selected de...")
11:40, 8 January 2024 Karsai talk contribs created page Construction:ML DESC TYPE (Created page with "{{DISPLAYTITLE:ML_DESC_TYPE}} {{TAGDEF|ML_DESC_TYPE|[integer]|1}} Description: This tag selects the descriptor type used in machine learning force fields. ---- This tag is only available for {{TAG|ML_MODE}}='refit' and {{TAG|ML_MODE}}='run'. == Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|ML_MODE}}, {{TAG|ML_LSPARSDES}}, {{TAG|ML_RDES_SPARSDES}} {{sc|ML_IALGO_LINREG|Examples|Examples that use this tag}} ---- Category:INCAR tagCategory:Machine-learned fo...")
12:20, 3 January 2024 Huebsch talk contribs created page Minimal reproducible example (Created page with "A '''minimal reproducible example''' is a set of input and output files that allow a bug, problem, or result to be demonstrated and reproduced. A crucial point is that the '''minimal reproducible example''' should be as small and simple as possible. It is helpful to create a '''minimal reproducible example''' when reporting an issue to a colleague, supervisor, or on the [https://www.vasp.at/forum/ VASP forum], but also as a starting point to explore more options and fe...")
16:03, 30 November 2023 Tbucko talk contribs created page File:IrcExample1.png (an IRC profile generated in a practical example)
16:03, 30 November 2023 Tbucko talk contribs uploaded File:IrcExample1.png (an IRC profile generated in a practical example)
15:39, 30 November 2023 Tbucko talk contribs created page File:GenerateMLFF.zip
15:39, 30 November 2023 Tbucko talk contribs uploaded File:GenerateMLFF.zip
08:02, 29 November 2023 Ces talk contribs created page File:New wiki logo scaled.png (This is a test upload after the update to MW 1.40)
08:02, 29 November 2023 Ces talk contribs uploaded File:New wiki logo scaled.png (This is a test upload after the update to MW 1.40)
10:17, 16 November 2023 Vaspmaster talk contribs created page Talk:ISMEAR (Created page with "* {{TAG|ISMEAR}} = -15 needs to be documented")
09:10, 14 November 2023 Huebsch talk contribs created page Symmetry (Redirected page to Category:Symmetry) Tag: New redirect
17:31, 13 November 2023 Vaspmaster talk contribs uploaded a new version of File:SCC.png
08:11, 13 November 2023 Huebsch talk contribs moved page Category:Thermodynamic integration with harmonic reference to Thermodynamic integration with harmonic reference without leaving a redirect
07:56, 13 November 2023 Huebsch talk contribs created page Mueller-Plathe method (Redirected page to Müller-Plathe method) Tag: New redirect
12:26, 12 November 2023 Huebsch talk contribs moved page IRC calculations to Intrinsic-reaction-coordinate calculations
10:31, 6 November 2023 Tbucko talk contribs created page IRC VNORM0 (Created page with "{{DISPLAYTITLE:IRC_VNORM0}} {{TAGDEF|IRC_VNORM0|real | 0.002}} Description: in the damped velocity Verlet algorithm for the {{TAG|IRC calculations}}, the damping is realized...")
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")