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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).
- 14:25, 10 June 2024 Kaltakm talk contribs created page Construction:ESF CONV (Created page with "{{TAGDEF|ESF_CONV|[real]|0.01}} Description: {{TAG|ESF_CONV}} sets the convergence criterion for the tricubic spline interpolation in ACFDT(R) calculations. ---- {{TAG|ESF_CONV}} sets the convergence criterion in the tricubic spline interpolation of the RPA correlation energy. This tag is used in conjunction with {{TAG|ESF_SPLINES}} and {{TAG|ESF_NITER}}. If {{TAG|ESF_SPLINES}}=T is set the RPA correlation energy is interpolated to finer k-point meshes using a tricubic...")
- 13:29, 10 June 2024 Jona talk contribs deleted page FML PERIOD (not needed)
- 13:27, 10 June 2024 Jona talk contribs deleted page FML SWAPNUM (no needed)
- 13:24, 10 June 2024 Jona talk contribs deleted page FML SNUMBER (not needed)
- 12:25, 10 June 2024 Kaltakm talk contribs created page Construction:ESF SPLINES (Created page with "{{TAGDEF|ESF_SPLINES|.FALSE. {{!}} .TRUE. |.FALSE.}} Description: {{TAG|ESF_SPLINES}} selects k-point interpolation in ACFDT(R) calculations using tri-cubic splines. ---- Interpolates the electronic structure factor in ACFDT/RPA calculations using tri-cubic splines to accelerate k-point convergence of the RPA correlation energy. This feature follows the same idea as in coupled cluster calculations.{{cit...")
- 11:36, 10 June 2024 Jona talk contribs deleted page FMP ACTIVE (testing)
- 11:36, 10 June 2024 Jona talk contribs created page FMP ACTIVE (Created page with "{{DISPLAYTITLE:FMP_ACTIVE}} {{TAGDEF|FMP_ACTIVE|logical (aray)}} {{DEF|FMP_ACTIVE|NIONS * False|}} Description: Select which atomic type in the {{FILE|POSCAR}} file is swapped within the Müller-Plathe method. ----- {{TAG|FMP_ACTIVE}} specifies whether or not (.TRUE. or .FALSE., respectively) an atomic type allowed for swapping within the Müller-Plathe method. One item for each of the atomic types defined in {{FILE|POSCAR}} must be supplied. == Related tags a...")
- 11:32, 10 June 2024 Vaspmaster talk contribs changed group membership for Jona from (none) to administrator (Wants to delete stuff ... OMG)
- 11:30, 10 June 2024 Vaspmaster talk contribs deleted page FML DIRECTION (content was: "#REDIRECT Construction:FMP DIRECTION", and the only contributor was "Wolloch" (talk))
- 11:28, 10 June 2024 Vaspmaster talk contribs deleted page FML ACTIVE (content was: "#REDIRECT Construction:FMP ACTIVE", and the only contributor was "Wolloch" (talk))
- 07:08, 10 June 2024 Schlipf talk contribs created page Template:Py4vasp (Created page with "<noinclude> Hello, World! </noinclude>")
- 14:44, 23 May 2024 Mani talk contribs created page Construction:Electron-phonon potential from supercells (Add general introduction and a few words about finite displacements in the supercell)
- 11:46, 17 May 2024 Mani talk contribs moved page Wannier orbitals from VASP to Constructing Wannier orbitals
- 07:32, 17 May 2024 Huebsch talk contribs deleted page Construction:Electrostatics (content was: "#REDIRECT Category:Electrostatics", and the only contributor was "Svijay" (talk))
- 12:33, 8 May 2024 Huebsch talk contribs created page Construction:LWAP (Created page with "{{TAGDEF|LWAP|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: Activate writing the potential for electron-phonon calculations. ---- Write the {{FILE|inwap.yaml}}, {{FILE|LOCAL-POTENTIAL.bin}}, {{FILE|PAW-OVERLAP.bin}}, {{FILE|PAW-STRENGTH.bin}}, {{FILE|QTOT.bin}} and {{FILE|PAW-Rnij.bin}} files at the end of the electronic minimization. These files are in turn read by {{FILE|phelel.hdf5}} to produce the {{FILE|phelel_params.hdf5}} file. == Related tags and articles == {{...")
- 06:25, 8 May 2024 Huebsch talk contribs deleted page Construction:Ensembles (content was: "Intro == Theory == == HowTo == == References == <references/> EnsemblesCategory:Molecular dynamics", and the only contributor was "Huebsch" (talk))
- 11:57, 15 April 2024 Wolloch talk contribs moved page FML SWAPNUM to Construction:FMP SWAPNUM
- 11:56, 15 April 2024 Wolloch talk contribs moved page FML SNUMBER to Construction:FMP SNUMBER
- 11:55, 15 April 2024 Wolloch talk contribs moved page FML PERIOD to Construction:FMP PERIOD
- 11:54, 15 April 2024 Wolloch talk contribs moved page FML DIRECTION to Construction:FMP DIRECTION
- 11:53, 15 April 2024 Wolloch talk contribs moved page FML ACTIVE to Construction:FMP ACTIVE
- 13:11, 27 March 2024 Singraber talk contribs created page Template:Table - Output interval options (Created page with "{| class="wikitable" ! Output file/property !! {{TAG|NBLOCK}} !! colspan="2" | {{TAG|ML_OUTBLOCK}} |- | || || <math>\leq</math> 6.4.2 || <math>\geq</math> 6.4.3 |- | screen output || no || yes || yes |- | {{FILE|OSZICAR}} || no || yes || yes |- | {{FILE|OUTCAR}} || colspan="3" | |- |  ...")
- 13:20, 26 March 2024 User account Csheldon talk contribs was created by Vaspmaster talk contribs
- 14:10, 20 March 2024 Karsai talk contribs deleted page Construction:ML NRANK SPARSDES (content was: "{{DISPLAYTITLE:ML_NRANK_SPARSDES}} {{TAGDEF|ML_NRANK_SPARSDES|[integer]|5}} Description: This tag sets the number of highest eigenvalues to which the correlation is measured within the angular descriptor sparsification (within the machine learning force field method). {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- This tag usually does not need to be changed by th...", and the only contributor was "Karsai" (talk))
- 14:09, 20 March 2024 Karsai talk contribs deleted page Construction:ML RDES SPARSDES (content was: "{{DISPLAYTITLE:ML_RDES_SPARSDES}} {{TAGDEF|ML_RDES_SPARSDES|[real]|0.5}} Description: Sets the ratio of descriptors kept during angular-descriptor sparsification. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- During angular-descriptor sparsification ({{TAG|ML_LSPARSDES}}=T), insignifi...", and the only contributor was "Karsai" (talk))
- 14:08, 20 March 2024 Karsai talk contribs deleted page Construction:ML LSPARSDES (content was: "{{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 6.4.3.}} ---- To use the Machine learning force field: Theory#Sparsification of angular descriptors|sparsification of angular descripto...", and the only contributor was "Karsai" (talk))
- 14:07, 20 March 2024 Karsai talk contribs deleted page Construction:ML DESC TYPE (content was: "{{DISPLAYTITLE:ML_DESC_TYPE}} {{TAGDEF|ML_DESC_TYPE|[integer]|0}} Description: This tag selects the descriptor type of the three-body descriptor used in machine learning force fields. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- {{NB|mind|This tag is only available for {{TAG|ML_MODE}}{{=}}'refit' and {{TAG|ML_MODE}}{{=}}'run'}}. This tag selects how the three-bo...", and the only contributor was "Karsai" (talk))
- 13:56, 20 March 2024 Karsai talk contribs created page ML DESC TYPE (Created page with "{{DISPLAYTITLE:ML_DESC_TYPE}} {{TAGDEF|ML_DESC_TYPE|[integer]|0}} Description: This tag selects the descriptor type of the three-body descriptor used in machine learning force fields. {{NB|mind|This tag is only available as of VASP 6.4.3.}} ---- {{NB|mind|This tag is only available for {{TAG|ML_MODE}}{{=}}'refit' and {{TAG|ML_MODE}}{{=}}'run'}}. This tag selects how the three-body descriptor is calculated and the following options are available: *{{TAG|ML_DESC_TYPE}}=0:...")
- 14:36, 19 March 2024 Huebsch talk contribs moved page Construction:ML MB MIN to ML MB MIN without leaving a redirect
- 13:17, 19 March 2024 Huebsch talk contribs moved page Construction:METAGGA to METAGGA without leaving a redirect
- 13:17, 19 March 2024 Huebsch talk contribs deleted page METAGGA (Deleted to make way for move from "Construction:METAGGA")
- 12:59, 19 March 2024 Huebsch talk contribs moved page Construction:Wannier orbitals from VASP to Wannier orbitals from VASP without leaving a redirect
- 12:49, 19 March 2024 Huebsch talk contribs moved page Construction:LKPOINTS WAN to LKPOINTS WAN without leaving a redirect
- 12:48, 19 March 2024 Huebsch talk contribs moved page Construction:KPOINTS WAN to KPOINTS WAN without leaving a redirect
- 12:29, 19 March 2024 Huebsch talk contribs moved page Construction:PARAM2 to PARAM2 without leaving a redirect
- 12:29, 19 March 2024 Huebsch talk contribs deleted page PARAM2 (Deleted to make way for move from "Construction:PARAM2")
- 12:28, 19 March 2024 Huebsch talk contribs moved page Construction:PARAM1 to PARAM1 without leaving a redirect
- 12:28, 19 March 2024 Huebsch talk contribs deleted page PARAM1 (Deleted to make way for move from "Construction:PARAM1")
- 12:18, 19 March 2024 Huebsch talk contribs moved page Construction:GAMMA VDW to GAMMA VDW without leaving a redirect
- 12:18, 19 March 2024 Huebsch talk contribs moved page Construction:ALPHA VDW to ALPHA VDW without leaving a redirect
- 12:16, 19 March 2024 Huebsch talk contribs moved page Construction:Nonlocal vdW-DF functionals to Nonlocal vdW-DF functionals without leaving a redirect
- 12:16, 19 March 2024 Huebsch talk contribs deleted page Nonlocal vdW-DF functionals (Deleted to make way for move from "Construction:Nonlocal vdW-DF functionals")
- 12:12, 19 March 2024 Huebsch talk contribs deleted page Construction:Precompiler options (content was: "Precompiler flags are used to activate/deactivate certain code features at the time of compilation, e.g., the use of MPI, the advanced molecular dynamics features, etc. Many precompiler flags are set by default in the templates provided for the makefile.include file. The commands are as follows: ;CPP :The command to invoke the precompiler yo...", and the only contributor was "Ftran" (talk))
- 12:11, 19 March 2024 Huebsch talk contribs deleted page Construction:Makefile.include (content was: "{{DISPLAYTITLE:makefile.include}} Writing a <code>makefile.include</code> file from scratch is not easy, so we suggest taking one of archetypical files that closely resembles your system as a starting point. It is necessary to customize it anyways to set appropriate paths etc. Optionally, you can enable additional features by setting precompiler flags or lin...", and the only contributor was "Ftran" (talk))
- 11:34, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD PARALLEL MODE to LIBMBD PARALLEL MODE without leaving a redirect
- 11:33, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD K GRID SHIFT to LIBMBD K GRID SHIFT without leaving a redirect
- 11:32, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD K GRID to LIBMBD K GRID without leaving a redirect
- 11:31, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD N OMEGA GRID to LIBMBD N OMEGA GRID without leaving a redirect
- 11:31, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD R0AU to LIBMBD R0AU without leaving a redirect
- 11:30, 19 March 2024 Huebsch talk contribs moved page Construction:LIBMBD ALPHA to LIBMBD ALPHA without leaving a redirect