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).

• 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...")
• 07:47, 7 November 2022 Kaltakm talk contribs deleted page Construction:ALL IN ONE (content was: "{{TAGDEF|ALL_IN_ONE|[integer]}} {{DEF|ALL_IN_ONE|-1|}} Description: {{TAG|ALL_IN_ONE}}>0 enables the all-in-one many-body perturbation theory calculations, i.e., {{TAG|ALGO}}=ACFDT[R], [EV]GW0[R], Practical_guide_to_GW_calculations#Fully_self-consistent_GW_caluclations:_GWR|...", and the only contributor was "Kaltakm" (talk))
• 13:23, 4 November 2022 Kaltakm talk contribs created page Construction:ALL IN ONE (Created page with "{{TAGDEF|ALL_IN_ONE|[integer]}} {{DEF|ALL_IN_ONE|-1|}} Description: {{TAG|ALL_IN_ONE}}>0 enables the all-in-one [[Many-body_perturbation_theory|many-body perturbation theory]...")
• 13:12, 4 November 2022 Kaltakm talk contribs deleted page Construction:IALL IN ONE MBPT (content was: "{{TAGDEF|IALL_IN_ONE_MBPT|[integer]}} {{DEF|IALL_IN_ONE_MBPT|-1|}} Description: {{TAG|IALL_IN_ONE_MBPT}}>0 enables the all-in-one MBPT calculation, i.e., {{TAG|ALGO}}=(EV)GWR, RPAR, and ACFDTR. It is available as of VASP.6.4.0. ---- In the all-in-one mode, VASP automatically performs the necessary steps prior to the MBPT calculation. The MBPT calculation includes the maximum available number of bands for the chosen {{TAG|ENCUT}}. {{NB|tip|Although all the bands are automatica...")
• 12:30, 24 October 2022 Tbucko talk contribs created page Many-body dispersion energy with fractionally ionic model for polarizability (Created page with "Details of implementation of the MBD@rsSCS method in VASP are presented in reference {{cite|gould:jctc:16}}. {{NB|mind|This method requires the use of {{TAG|POTCAR}} files fr...")
• 07:19, 24 October 2022 Tal talk contribs moved page Construction:IALL IN ONE to Construction:IALL IN ONE MBPT
• 07:03, 24 October 2022 Tal talk contribs created page Construction:IALL IN ONE (Created page with "{{TAGDEF|IALL_IN_ONE_MBPT|0 {{!}} 1 }} {{DEF|IALL_IN_ONE_MBPT|0|}} Description: {{TAG|IALL_IN_ONE_MBPT}} enables the all-in-one MBPT calculation, i.e., {{TAG|ALGO}}= GWR, RP...")
• 09:49, 1 September 2022 Miranda.henrique talk contribs created page LPHON READ FORCE CONSTANTS (Created page with "{{DISPLAYTITLE:LPHON_READ_FORCE_CONSTANTS}} {{TAGDEF|LPHON_READ_FORCE_CONSTANTS|.TRUE. {{!}} .FALSE. }} {{DEF|LPHON_READ_FORCE_CONSTANTS|.FALSE.|}} Description: {{TAG|LPHON_R...")
• 06:37, 13 August 2022 Huebsch talk contribs moved page Construction:Best practices for machine-learned force fields to Best practices for machine-learned force fields without leaving a redirect
• 13:54, 12 August 2022 Jona talk contribs created page Construction:Category:Ensembles (Created page with "=== Introduction === A central concept of statistical mechanics is the ensemble. An ensemble consists of a large number of virtual copies of the system of int...")
• 10:18, 12 August 2022 Huebsch talk contribs created page Performance (Redirected page to Category:Performance) Tag: New redirect
• 09:56, 12 August 2022 Huebsch talk contribs deleted page Precision, symmetry and POSCAR (content was: "#REDIRECT POSCAR#Precision_and_symmetry", and the only contributor was "Miranda.henrique" (talk))
• 07:59, 12 August 2022 Miranda.henrique talk contribs created page Precision, symmetry and POSCAR (Redirected page to POSCAR#Precision and symmetry) Tag: New redirect
• 07:38, 12 August 2022 Huebsch talk contribs created page Construction:Ensembles (Created page with "Intro == Theory == == HowTo == == References == <references/> EnsemblesCategory:Molecular dynamics")
• 12:31, 11 August 2022 Jona talk contribs created page Construction:NpH ensemble (Created page with "The NpH ensemble (isoenthalpic–isobaric ensemble) is a statistical ensemble that is used to study material properties under the conditions of a c...")
• 12:31, 11 August 2022 Miranda.henrique talk contribs created page PHON DOS (Created page with "{{DISPLAYTITLE:PHON_DOS}} {{TAGDEF|PHON_DOS| 0 {{!}} 1 {{!}} 2 }} {{DEF|PHON_DOS|0|}} Description: Select the approach to use when computing the phonon density-of-states (DOS...")