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13:58, 5 January 2022 Huebsch talk contribs deleted page LIBXC1 (Author request: content was: "{{TAGDEF|LIBXC1|[integer] or [string]}} Description: {{TAG|LIBXC1}} and LIBXC2 specify the functionals from the library of exchange-correlation functionals Libxc {{cite|marques:cpc:2012}}{{cite|lehtola:sx:2018}} that one wants to use. ---- {{TAG|LIBXC1}} and LIBXC2 can be either integers or strings. The available functionals are listed on the Libxc website<re...", and the only contributor was "Ftran" ([[User...)
12:54, 5 January 2022 Ftran talk contribs moved page LIBXC1 Pn to Construction:LIBXC1 Pn
12:54, 5 January 2022 Ftran talk contribs created page LIBXC1 Pn (Created page with "{{TAGDEF|LIBXC1|[integer] or [string]}} Description: {{TAG|LIBXC1}} and LIBXC2 specify the functionals from the library of exchange-correlation functionals Libxc {...")
15:29, 4 January 2022 Karsai talk contribs created page ML EPS REG (Created page with "{{TAGDEF|ML_EPS_REG|[real]|1E-14}} == Related Tags and Sections == {{TAG|ML_LMLFF}}, {{TAG|ML_MB}} {{sc|ML_EPS_LOW|Examples|Examples that use this tag}} ---- Category:IN...")
10:06, 28 December 2021 Ftran talk contribs moved page Construction:LIBXC2 to LIBXC2
10:04, 28 December 2021 Ftran talk contribs created page Construction:LIBXC2 (Redirected page to LIBXC1) Tag: New redirect
09:49, 21 December 2021 Ftran talk contribs created page LIBXC1 (Created page with "{{TAGDEF|LIBXC1|}} [integer] or [string]}} Description: {{TAG|LIBXC1}} and {{TAG|LIBXC2|LIBXC2}} specify the functionals from the library of exchange-correlation functionals...")
17:33, 20 December 2021 Huebsch talk contribs created page WANNIER90 WIN (Created page with "{{TAGDEF|WANNIER90_WIN|[string]}} {{DEF|WANNIER90_WIN|None|}} Description: {{TAG|WANNIER90_WIN}} sets the content of the '''wannier90.win''' file. ---- The {{TAG|WANNIER90_W...")
14:00, 20 December 2021 Ftran talk contribs created page Construction:LIBXC1 (Created page with "{{TAGDEF|LIBXC1/LIBXC2|[integer]}} {{DEF|AEXX|0.25|if {{TAG|LHFCALC}}{{=}}.TRUE.|0|otherwise}} Description: {{TAG|AEXX}} specifies the fraction of exact exchange in a Hartree...")
13:14, 20 December 2021 Huebsch talk contribs deleted page Cunstruction:LIBXC1 (content was: "{{TAGDEF|MYTAG|-1 {{!}} 0 {{!}} 1}} {{DEF|MYTAG|0|for VASP.X.X and older|1|else (if {{TAG|MYTAG}} is not set)}} Description: {{TAG|MYTAG}} sets/selects ... {{NB| mind | Pay attention to ''common pitfall'' and the interplay with {{TAG|MYOTHER}}.}} ---- ==First section== *{{TAG|MYTAG}}=-1: Algorithm name {{NB| deprecated | This functionality is not supported in VASP version...", and the only contributor was "Huebsch" (talk))
13:14, 20 December 2021 Huebsch talk contribs created page Cunstruction:LIBXC1 (Created page with "{{TAGDEF|MYTAG|-1 {{!}} 0 {{!}} 1}} {{DEF|MYTAG|0|for VASP.X.X and older|1|else (if {{TAG|MYTAG}} is not set)}} Description: {{TAG|MYTAG}} sets/selects ... {{NB| mind | Pay a...")
16:43, 15 December 2021 Huebsch talk contribs created page Construction:LSCDM (Created page with "{{TAGDEF|LSCDM|.TRUE. {{!}} .FALSE. }} {{DEF|LSCDM|.FALSE.|}} Description: {{TAG|LSCDM}} switches on the selected-columns-of-the-density-matrix (SCDM) method. ---- The SCD...")
06:21, 24 November 2021 Miranda.henrique talk contribs moved page Construction:Diffcult to converge systems to Diffcult to converge systems
14:00, 23 November 2021 Miranda.henrique talk contribs created page PROJCAR (Created page with "#REDIRECT {{TAG|LOCPROJ}}")
12:42, 23 November 2021 Kaltakm talk contribs created page LSCK (Created page with "{{TAGDEF|LSCK|[logical]| .FALSE.}} ---- If {{TAG|LSCK}} is set to .TRUE., the squeezed Coulomb kernel is used instead of the cosine window:{{cite|riemelmoser:j...")
10:53, 23 November 2021 Tobias talk contribs created page Construction:Intrinsic Atomic Orbitals (first draft)
16:36, 22 November 2021 Kaltakm talk contribs created page LRPAFORCE (Created page with "{{TAGDEF|LRPAFORCE|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LRPAFORCE}}=.TRUE. calculates forces in the RPA. ---- Available as of VASP.6.1. This tag is optionally u...")
15:23, 22 November 2021 Tobias talk contribs created page Construction:Unitary Matrix Constrained Optimization (init entry)
11:14, 22 November 2021 Kaltakm talk contribs created page NELMGW (Created page with "{{TAGDEF|NELMGW|[integer]|1}} Description: Controls the number of self-consistent GW steps. ---- This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] | an...")
10:03, 2 November 2021 Karsai talk contribs deleted page Machine learning force field calculations: Important algorithms (content was: "This page describes important algorithms used in the machine learning force field method. == Sampling of training data and local reference configurations == We employ a learning scheme where structures are only added to the list of training structures when local reference configurations are picked for atoms that have an error in the force higher than a given threshold. So in t...", and the only contributor was "Karsai" (talk))
13:23, 29 October 2021 User account Tal talk contribs was created by Vaspmaster talk contribs
13:16, 21 October 2021 Karsai talk contribs moved page MAchine learning force field calculations: Important algorithms to Machine learning force field calculations: Important algorithms
13:14, 21 October 2021 Karsai talk contribs created page MAchine learning force field calculations: Important algorithms (Created page with "This page describes important algorithms used in the machine learning force field method. == Sampling of training data and local reference configurations == Usually one can...")
08:56, 19 October 2021 Ces talk contribs created page File:Logo.png (The new VASP logo)
08:56, 19 October 2021 Ces talk contribs uploaded File:Logo.png (The new VASP logo)
08:10, 13 October 2021 Singraber talk contribs moved page ML XMIX to ML CX (Tag was renamed)
16:04, 12 October 2021 Karsai talk contribs created page ML IALGO LINREG (Created page with "{{TAGDEF|ML_IALGO_LINREG|[integer]|1}} Description: This tag determines how to solve the linear equations in the ridge regression for machine learning. ---- The following op...")
07:38, 12 October 2021 Singraber talk contribs moved page Template:BOX to Template:NB
18:57, 10 October 2021 Singraber talk contribs created page Template:)) (Created page with "}}")
18:56, 10 October 2021 Singraber talk contribs created page Template:(( (Created page with "{{")
08:43, 8 October 2021 Singraber talk contribs created page Template:C (Created page with "{{#switch: {{{1}}} | vcyan = {{{2}}} | vgrey = {{{2}}} | vblue = ...")
20:09, 7 October 2021 Singraber talk contribs created page Template:BOX (Created page with "")
14:20, 6 September 2021 User account Ftran talk contribs was created by Vaspmaster talk contribs
07:24, 1 September 2021 Karsai talk contribs created page File:MLFF Liquid Si tutorial.tgz
07:24, 1 September 2021 Karsai talk contribs uploaded File:MLFF Liquid Si tutorial.tgz
07:22, 1 September 2021 Karsai talk contribs deleted page File:MLFF Liquid Si.tgz
06:52, 23 August 2021 Karsai talk contribs moved page ML FF XMIX to ML XMIX
06:52, 23 August 2021 Karsai talk contribs moved page ML FF WTSIF to ML WTSIF
06:52, 23 August 2021 Karsai talk contribs moved page ML FF WTOTEN to ML WTOTEN
06:51, 23 August 2021 Karsai talk contribs moved page ML FF WTIFOR to ML WTIFOR
06:51, 23 August 2021 Karsai talk contribs moved page ML FF W1 MB to ML W1
06:51, 23 August 2021 Karsai talk contribs moved page ML FF SION2 MB to ML SION2
06:51, 23 August 2021 Karsai talk contribs moved page ML FF SION1 MB to ML SION1
06:50, 23 August 2021 Karsai talk contribs moved page ML FF SIGW0 MB to ML SIGW0
06:50, 23 August 2021 Karsai talk contribs moved page ML FF SIGV0 MB to ML SIGV0
06:49, 23 August 2021 Karsai talk contribs moved page ML FF RDES SPARSDES MB to ML RDES SPARSDES
06:49, 23 August 2021 Karsai talk contribs moved page ML FF RCUT2 MB to ML RCUT2
06:49, 23 August 2021 Karsai talk contribs moved page ML FF RCUT1 MB to ML RCUT1
06:48, 23 August 2021 Karsai talk contribs moved page ML FF RCOUPLE MB to ML RCOUPLE
06:48, 23 August 2021 Karsai talk contribs moved page ML FF NRANK SPARSDES MB to ML NRANK SPARSDES