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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).

• 11:41, 6 April 2023 Tbucko talk contribs created page File:Bias potentials.png
• 11:41, 6 April 2023 Tbucko talk contribs uploaded File:Bias potentials.png
• 13:34, 3 April 2023 Jona talk contribs created page Construction:ML ICRITERIA (Created page with "{{DISPLAYTITLE:ML_ICRITERIA}} {{TAGDEF|ML_ICRITERIA|[integer]}} {{DEF|ML_ICRITERIA|0|for {{TAG|ML_MODE}} {{=}} SELECT|1|else}} {{TAGDEF|ML_ICRITERIA|[integer]|1}} Descriptio...")
• 11:12, 31 March 2023 Karsai talk contribs created page Construction:ML MB (Created page with "{{DISPLAYTITLE:ML_MB}} {{TAGDEF|ML_MB|[integer]|1500}} Description: This tag sets the maximum number of local reference configurations (i.e. basis functions in the kernel) in...")
• 08:44, 29 March 2023 Singraber talk contribs created page Construction:Machine learning force field calculations: Basics (Copy from Basics page)
• 20:12, 28 March 2023 Karsai talk contribs created page Construction:ML MODE (Created page with "{{DISPLAYTITLE:ML_MODE}} {{TAGDEF|ML_MODE|[string]|NONE}} Description: String based tag selecting operation mode for machine learning force fields. {{NB|warning|The descripti...")
• 14:08, 28 March 2023 Jona talk contribs created page Construction:Best practices for machine-learned force fields (Created page with "Using the machine-learning–force-fields method, VASP can construct force fields based on ab-initio simulations. There are many asp...")
• 19:01, 16 March 2023 Miranda.henrique talk contribs created page Number of G-vectors changed in the star (Created page with "This happens because the number of G vectors in the plane-wave basis for each k-point is determined according to :: <math> \frac{\hbar^2}{2m_e} (\mathbf{G+k})^2 < \text{ENCUT...")
• 10:25, 15 March 2023 User account Wolloch talk contribs was created by Vaspmaster talk contribs
• 14:28, 20 February 2023 Schlipf talk contribs moved page VASP Wiki:EFERMI to EFERMI
• 14:27, 20 February 2023 Schlipf talk contribs moved page Construction:EFERMI to Vaspwiki:EFERMI
• 13:47, 16 February 2023 Gilles talk contribs created page LVGVAPPL (Created page with "{{TAGDEF|LVGVAPPL|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: {{TAG|LVGVAPPL}} determines whether the ''vGv'' orbital magnetic susceptibility is applied in the calculation...")
• 12:56, 16 February 2023 Gilles talk contribs created page LVGVCALC (Created page with "{{TAGDEF|LVGVCALC|.TRUE. {{!}} .FALSE. | .TRUE.}} WARNING: under construction. Description: {{TAG|LVGVCALC}} calculates the two-center contributions to the chemical shift t...")
• 15:26, 15 February 2023 Ftran talk contribs created page ALDAX (Created page with "{{TAGDEF|ALDAX|[real]|1.0-{{TAG|AEXX}} if {{TAG|LHFCALC}}{{=}}.TRUE. or 1.0 if {{TAG|LHFCALC}}{{=}}.FALSE.}} Description: {{TAG|ALDAX}} is a parameter that multiplies the LDA...")
• 14:23, 15 February 2023 Ftran talk contribs created page AMGGAC (Created page with "{{TAGDEF|AMGGAC|[real]|1.0 - {{TAG|AEXX}} if LHFCALC=.TRUE}} Description: {{TAG|AMGGAX}} specifies the fraction of meta-GGA exchange in a Hartree-Fock/meta-GGA hybrid functio...")
• 12:29, 15 February 2023 Ftran talk contribs created page AMGGAX (Created page with "{{TAGDEF|AMGGAX|[real]|1.0-{{TAG|AEXX}}}} Description: {{TAG|AMGGAX}} specifies the fraction of meta-GGA exchange in a Hartree-Fock/meta-GGA hybrid functional type calculatio...")
• 10:18, 15 February 2023 Ftran talk contribs created page RSMBJ (Created page with "{{TAGDEF|RSMBJ|[real]|7}} Description: sets the <math>r_{s}^{\mathrm{th}}</math> parameter (in bohr) in the LMBJ potential. ---- See the description of the {{TAG|METAGGA}} ta...")
• 10:15, 15 February 2023 Ftran talk contribs created page SMBJ (Created page with "{{TAGDEF|SMBJB|[real]|2}} Description: sets the <math>\sigma</math> parameter in the LMBJ potential. ---- See the description of the {{TAG|METAGGA}} tag. == Related tags and...")
• 08:08, 15 February 2023 Ftran talk contribs created page CMBJE (Created page with "{{TAGDEF|CMBJE|[real]|0.5}} Description: sets the <math>\alpha</math> parameter in the MBJ potential. ---- See the description of the {{TAG|METAGGA}} tag. == Related tags an...")
• 16:32, 14 February 2023 Ftran talk contribs created page LSPIN VDW (Created page with "{{DISPLAYTITLE:LSPIN_VDW}} {{TAGDEF|LSPIN_VDW|[logical]|.FALSE.}} Description: {{TAG|LSPIN_VDW}}=.TRUE. switches on the use of the {{cite|Thonhauser:prl:2015}} ---- For LDA...")
• 15:12, 14 February 2023 Ftran talk contribs created page IVDW NL (Created page with "{{DISPLAYTITLE:IVDW_VDW}} {{TAGDEF|IVDW_NL|[integer]|0}} Description: {{TAG|LUSE_VDW}}=.TRUE. switches on the use of a nonlocal vdW-DF functional. These functionals depend on...")
• 15:06, 1 February 2023 Ftran talk contribs created page DFT-ulg (Created page with "In the DFT-ulg method of Grimme{{cite|grimme:jcc:06}}, the correction term takes the form: :<math>E_{\mathrm{disp}} = -\frac{1}{2} \sum_{i=1}^{N_{at}} \sum_{j=1}^{N_{at}} \...")
• 12:10, 1 February 2023 Ftran talk contribs uploaded a new version of File:Si HSE band.tgz
• 08:17, 9 January 2023 Karsai talk contribs created page ML MODE (Created page with "{{DISPLAYTITLE:ML_MODE}} {{TAGDEF|ML_MODE|[string]|NONE}} == Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|ML_ISTART}}, {{TAG|ML_LFAST}}, {{TAG|ML_IERR}}, {{TAG|ML_OUT...")
• 13:47, 7 December 2022 Karsai talk contribs created page ML LERR (Created page with "{{DISPLAYTITLE:ML_LERR}} {{TAGDEF|ML_LERR|[logical]|.TRUE.}} Description: Decides whether the Bayesian error estimates are calculated and written out or not. ---- If the Baye...")
• 10:22, 7 December 2022 Tbucko talk contribs created page IRC calculations (Created page with "The potential energy profiles along intrinsic reaction coordinate (IRC) can be computed via damped velocity Verlet algorithm of Hratchian and Schlegel. Experienced users c...")
• 14:48, 23 November 2022 Kaltakm talk contribs deleted page Construction:NBANDS WAVE (published)
• 14:47, 23 November 2022 Kaltakm talk contribs deleted page Construction:NOMEGA DUMP (published)
• 14:47, 23 November 2022 Kaltakm talk contribs created page NOMEGA DUMP (Created page with "{{TAGDEF|NOMEGA_DUMP|[integer]}} {{DEF|NOMEGA_DUMP|-1|}} {{NB| warning | Available as of version 6.3.2.}} Description: {{TAG|NOMEGA_DUMP}} selects the imaginary frequency poin...")
• 14:46, 23 November 2022 Kaltakm talk contribs deleted page Construction:LALL IN ONE (published)
• 14:46, 23 November 2022 Kaltakm talk contribs deleted page Construction:IALL IN ONE (published)
• 14:46, 23 November 2022 Kaltakm talk contribs deleted page Construction:NBANDSEXACT (published)
• 14:45, 23 November 2022 Kaltakm talk contribs created page NBANDS WAVE (Created page with "{{TAGDEF|NBANDS_WAVE|[integer]}} {{DEF|NBANDS_WAVE |{{TAG|NBANDSGW}} |for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. and {{TAG|NBANDS}}<1 |{{TAG|NBANDS}} |for {{TAG|LALL_IN_ONE}}{{...")
• 14:44, 23 November 2022 Kaltakm talk contribs created page IALL IN ONE (Created page with "{{TAGDEF|IALL_IN_ONE|[integer]}} {{DEF|IALL_IN_ONE|1|for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. or {{TAG|NBANDS}}<0|-1|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE.}} Description: {{TAG|IALL_I...")
• 14:44, 23 November 2022 Kaltakm talk contribs created page LALL IN ONE (Created page with "{{TAGDEF|LALL_IN_ONE|.FALSE. {{!}} .TRUE.}} {{DEF|LALL_IN_ONE |.FALSE.|for {{TAG|NBANDS}}>0 |.TRUE.|for {{TAG|NBANDS}}<0 }} Description: {{TAG|LALL_IN_ONE}}=.TRUE. enables th...")
• 14:42, 23 November 2022 Kaltakm talk contribs created page NBANDSEXACT (Created page with "{{TAGDEF|NBANDSEXACT|[integer]}} {{DEF|NBANDSEXACT|-1|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE.|maximum number of plane waves|for {{TAG|LALL_IN_ONE}}{{=}}.TRUE.}} Description: {{TA...")
• 12:07, 21 November 2022 Karsai talk contribs created page Category:Development version (Created page with "---- Machine-learned force fields")
• 12:03, 21 November 2022 Karsai talk contribs created page ML OUTPUT MODE (Created page with "{{DISPLAYTITLE:ML_OUTPUT_MODE}} {{TAGDEF|ML_OUTPUT_MODE|[integer]|1} Description: This tag decides the output verbosity of the molecular-dynamics calculation using machine le...")
• 11:58, 21 November 2022 Karsai talk contribs created page ML OUTBLOCK (Created page with "{{DISPLAYTITLE:ML_OUTBLOCK}} {{TAGDEF|ML_OUTBLOCK|[integer]|1}} Description: Output frequency of the molecular-dynamics results for {{TAG|ML_ISTART}}=2. ---- This tag determi...")
• 11:17, 21 November 2022 Karsai talk contribs created page ML IERR (Created page with "== Related tags and articles == {{TAG|ML_LMLFF}}, {{TAG|ML_ISTART}}, {{TAG|ML_LFAST}}, {{TAG|ML_OUTBLOCK}}, {{TAG|ML_OUTPUT_MODE}} ---- Category:INCAR tagCategory:Machi...")
• 09:34, 21 November 2022 Karsai talk contribs created page ML LFAST (Created page with "{{DISPLAYTITLE:ML_LFAST}} {{TAGDEF|ML_LFAST|[logical]|.FALSE.}} Description: This tag switches on the very fast execution mode for {{TAG|ML_ISTART}}=2. ---- Until now this ta...")
• 16:17, 7 November 2022 Kaltakm talk contribs undeleted page Construction:NBANDS WAVE (4 revisions)
• 16:16, 7 November 2022 Kaltakm talk contribs deleted page Construction:NBANDS OUT (content was: "{{TAGDEF|NBANDS_OUT|[integer]}} {{DEF|NBANDS_OUT |{{TAG|NBANDSGW}} |for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. and {{TAG|NBANDS}}<1 |{{TAG|NBANDS}} |for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. and {{TAG|NBANDS}}>0 |{{TAG|NBANDSEXACT}}|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE. and {{TAG|NBANDS}}<1 |{{TAG|NBANDS}} |for {{TAG|LALL_IN_ONE}}{{=}}.FALSE. and {{TAG|NBANDS}}>0 }} Description: {...", and the only contributor was "Kaltakm" (talk))
• 14:35, 7 November 2022 Kaltakm talk contribs created page Construction:NBANDS OUT (Created page with "{{TAGDEF|NBANDS_OUT|[integer]}} {{DEF|NBANDS_OUT |{{TAG|NBANDSGW}} |for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. and {{TAG|NBANDS}}<1 |{{TAG|NBANDS}} |for {{TAG|LALL_IN_ONE}}{{=}...")
• 14:34, 7 November 2022 Kaltakm talk contribs deleted page Construction:NBANDS WAVE (content was: "{{TAGDEF|NBANDS_WAVE|[integer]}} {{DEF|NBANDS_WAVE |{{TAG|NBANDSGW}} |for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. and {{TAG|NBANDS}}<1 |{{TAG|NBANDS}} |for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. and {{TAG|NBANDS}}>0 |{{TAG|NBANDSEXACT}}|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE. and {{TAG|NBANDS}}<1 |{{TAG|NBANDS}} |for {{TAG|LALL_IN_ONE}}{{=}}.FALSE. and {{TAG|NBANDS}}>0 }} Description:...", and the only contributor was "Kaltakm" (talk))
• 08:30, 7 November 2022 Kaltakm talk contribs created page Construction:NBANDS WAVE (Created page with "{{TAGDEF|NBANDS_WAVE|[integer]}} {{DEF|NBANDS_WAVE |{{TAG|NBANDSGW}} |for {{TAG|LALL_IN_ONE}}{{=}}.TRUE. and {{TAG|NBANDS}}<1 |{{TAG|NBANDS}} |for {{TAG|LALL_IN_ONE}}{{...")
• 08:16, 7 November 2022 Kaltakm talk contribs created page Construction:NBANDSEXACT (Created page with "{{TAGDEF|NBANDSEXACT|[integer]}} {{DEF|NBANDSEXACT|-1|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE.|maximum number of plane waves|for {{TAG|LALL_IN_ONE}}{{=}}.TRUE.}} Description: {{TA...")
• 08:11, 7 November 2022 Kaltakm talk contribs created page Construction:LALL IN ONE (Created page with "{{TAGDEF|LALL_IN_ONE|.FALSE. {{!}} .TRUE.}} {{DEF|LALL_IN_ONE|.FALSE.|}} Description: {{TAG|LALL_IN_ONE}}=.TRUE. enables the all-in-one mode for Many-body_perturbation_theo...")
• 08:08, 7 November 2022 Kaltakm talk contribs deleted page Construction:IALL IN ONE MBPT (content was: "{{TAGDEF|IALL_IN_ONE|[integer]}} {{DEF|IALL_IN_ONE|-1|for {{TAG|LALL_IN_ONE}}{{=}}.TRUE.|1|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE.}} Description: {{TAG|IALL_IN_ONE}}>0 enables the all-in-one mode for many-body perturbation theory calculations, i.e., {{TAG|ALGO}}=ACFDT[R], [EV]GW0[R]...", and the only contributor was "[[Special:Contributions/Kaltakm|Kaltakm" (talk))
• 08:02, 7 November 2022 Kaltakm talk contribs created page Construction:IALL IN ONE MBPT (Created page with "{{TAGDEF|IALL_IN_ONE|[integer]}} {{DEF|IALL_IN_ONE|-1|for {{TAG|LALL_IN_ONE}}{{=}}.TRUE.|1|for {{TAG|LALL_IN_ONE}}{{=}}.FALSE.}} Description: {{TAG|IALL_IN_ONE}}>0 enables th...")