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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).

07:24, 13 October 2023 Ftran talk contribs created page Construction:PREC (Created page with "{{TAGDEF|PREC|Low {{!}} Medium {{!}} High {{!}} Normal {{!}} Single {{!}} Accurate}} {{DEF|PREC|Medium|for VASP.4.X|Normal|for VASP.5.X}} Description: {{TAG|PREC}} specifies...")
14:19, 12 October 2023 Pmelo talk contribs created page Construction:Category:Dielectric Functions (Created page with "The dielectric function <math>\epsilon(\mathbf q,\omega)</math> descrives the electric response of a system when perturbed by an external electric field. Depending on the ori...")
10:30, 12 October 2023 Wolloch talk contribs created page File:Sketch Pseudopotentials.png (A Sketch taken from Wikipedia (https://de.wikipedia.org/wiki/Pseudopotential) which illustrates the basic concept of a pseudopotential.)
10:30, 12 October 2023 Wolloch talk contribs uploaded File:Sketch Pseudopotentials.png (A Sketch taken from Wikipedia (https://de.wikipedia.org/wiki/Pseudopotential) which illustrates the basic concept of a pseudopotential.)
09:10, 12 October 2023 Wolloch talk contribs moved page Construction:Pseudo potentials to Construction:Category:Pseudopotentials (I think that pseudopotential is really the preferred spelling. On the Wiki both "pseudo potential" and "pseudopotential" are used, but the latter is much more common in literature)
08:55, 12 October 2023 Wolloch talk contribs moved page Category:Pseudo potentials to Construction:Pseudo potentials (Mistakes where made)
08:54, 12 October 2023 Wolloch talk contribs created page Category:Pseudo potentials (Created page with "Pseudo potentials, or sometimes effective potentials, are commonly used to speed up electronic structure calculations. The main idea is to separate the valence electrons from...")
07:53, 12 October 2023 Ftran talk contribs created page Construction:GGA COMPAT (Created page with "{{DISPLAYTITLE:GGA_COMPAT}} {{TAGDEF|GGA_COMPAT|.TRUE. {{!}} .FALSE. |.TRUE.}} Description: This flag restores the full lattice symmetry for gradient corrected functionals. -...")
11:58, 5 October 2023 Karsai talk contribs created page Construction:Category:Biased molecular dynamics (Created page with "== Theoretical background == The probability density for a geometric parameter ξ of the system driven by a Hamiltonian: :<math> H(q,p) = T(p) + V(q), \; </math> with ''T''...")
12:25, 4 October 2023 User account Pmelo talk contribs was created by Vaspmaster talk contribs
11:59, 4 October 2023 Huebsch talk contribs created page MD (Redirected page to Category:Molecular dynamics) Tag: New redirect
07:33, 3 October 2023 Huebsch talk contribs created page MLFF (Redirected page to Category:Machine-learned force fields) Tag: New redirect
09:44, 29 September 2023 Kaltakm talk contribs deleted page Contstruction:LSINGLES (content was: "{{TAGDEF|LSINGLES|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: calculate singles contribution to correlation energy using GW algorithms.{{cite|klimes:jcp:143}} ---- This tag can be used to calculate the singles contributions to the correlation energy that can be represented by following Feynman (time-ordered) diagrams:{{cite|kaltak:thesis2015}}{{cite|klimes:jcp:143}} File:S...", and the only contributor was "Kaltakm" (talk))
09:44, 29 September 2023 Kaltakm talk contribs created page Construction:LSINGLES (Created page with "{{TAGDEF|LSINGLES|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: calculate singles contribution to correlation energy using GW algorithms.{{cite|klimes:jcp:143}} ---- This tag c...")
06:44, 29 September 2023 Huebsch talk contribs moved page Matsubara Formalism to Matsubara formalism
09:46, 21 September 2023 Huebsch talk contribs created page File:Spinor-space-example-saxis.png
09:46, 21 September 2023 Huebsch talk contribs uploaded File:Spinor-space-example-saxis.png
09:28, 21 September 2023 Huebsch talk contribs created page File:Saxis-angles.png
09:28, 21 September 2023 Huebsch talk contribs uploaded File:Saxis-angles.png
07:24, 21 September 2023 Kaltakm talk contribs created page File:SinglesDiagrams.png (Feynman Diagrams of Singles contribution to the correlation energy.)
07:24, 21 September 2023 Kaltakm talk contribs uploaded File:SinglesDiagrams.png (Feynman Diagrams of Singles contribution to the correlation energy.)
12:31, 20 September 2023 Kaltakm talk contribs created page Contstruction:LSINGLES (Created page with "{{TAGDEF|LSINGLES|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: calculate singles contribution to correlation energy using GW algorithms.{{cite|klimes:jcp:143}} ---- This tag c...")
11:12, 20 September 2023 Kaltakm talk contribs created page Construction:Singles correlation energy (Created page with "== Singles correlation energy == ---- Category:Many-body perturbation theory Category:Theory Category:VASP6 Category:Low-scaling GW and RPA Category:GW")
08:26, 10 September 2023 Tbucko talk contribs created page CSVR PERIOD (Created page with "{{DISPLAYTITLE:CSVR_PERIOD}} {{TAGDEF|CSVR_NCHAINS|[real]|40}} Description: Time scale of the CSVR thermostat in terms of the number of MD steps. ----...") Tag: Visual edit: Switched
07:55, 9 September 2023 Tbucko talk contribs created page CSVR thermostat (Created page with "One popular strategy to control temperature in NVT MD is to rescale atomic velocities at a certain predefined frequency by some factor in such a way that the total kinetic ene...")
10:34, 10 August 2023 Karsai talk contribs deleted page Construction:ISIF (content was: "{{TAGDEF|ISIF|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4 {{!}} 5 {{!}} 6 {{!}} 7}} {{DEF|ISIF|0|for {{TAG|IBRION}}{{=}}0 (molecular dynamics) or {{TAG|LHFCALC}}{{=}}.TRUE.|2|else}} Description: {{TAG|ISIF}} determines whether the stress tensor is calculated and which principal degrees-of-freedom are allowed to change in relaxation and molecular dynamics runs. ---- {{TAG|ISIF}} determines whet...", and the only contributor was "Jona" (talk))
09:35, 10 August 2023 Jona talk contribs created page Construction:ISIF (Created page with "{{TAGDEF|ISIF|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4 {{!}} 5 {{!}} 6 {{!}} 7}} {{DEF|ISIF|0|for {{TAG|IBRION}}{{=}}0 (molecular dynamics) or {{TAG|LHFCALC}}{{=}}.TRUE.|2|else}} De...")
10:23, 10 July 2023 Karsai 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. When constructing, t...")
15:34, 3 July 2023 Karsai talk contribs moved page Construction:Machine learning force field: Theory to Machine learning force field: Theory
15:34, 3 July 2023 Karsai talk contribs deleted page Machine learning force field: Theory (content was: "Here we present the theory for on-the-fly machine learning force fields. The theory will be presented in a very condensed manner and for a more detailed description of the methods, we refer the readers to Refs. {{cite|jinnouchi:prl:2019}}, {{cite|jinnouchi2:arx:2019}} and {{cite|jinnouchi:jcm:20}}. == Introduction == Molecular dynamics is one of the most important methods for th...", and the only contributor was "Karsai" (talk))
12:52, 16 June 2023 Karsai talk contribs created page Construction:Machine learning force field: Theory (Created page with "Here we present the theory for on-the-fly machine learning force fields. The theory will be presented in a very condensed manner and for a more detailed description of the met...")
13:32, 17 May 2023 Tbucko talk contribs created page NHC NS (Created page with "{DISPLAYTITLE:NHC_NS}} {{TAGDEF|NHC_NS|[integer]|1|3|7}} Description: The number of subdivisions of each RESPA step used in the integration step used in propagation of thermo...")
13:25, 17 May 2023 Tbucko talk contribs created page NHC NRESPA (Created page with "{{DISPLAYTITLE:NHC_NRESPA}} {{TAGDEF|NHC_NRESPA|[integer]|1}} Description: The number of subdivisions of the integration step used in propagation of thermostat variables in [...") Tag: Visual edit: Switched
20:49, 12 May 2023 Schlipf talk contribs created page Template:SNIPPET (Created page with "<includeonly><div class="snippet"> {{{1}}} {{{2}}} </div></includeonly><noinclude> == Example == {{SNIPPET| running on 8 total cores distrk: each k-point on 8 cores,...")
20:47, 12 May 2023 Schlipf talk contribs created page Template:Stdout (Created page with ":{| cellpadding="5" cellspacing="0" border="1" |N|| iteration count |- |E|| total energy |- |dE|| change of total energy |- |d eps|| change of the eigenvalues (fixed potentia...")
14:01, 5 May 2023 Huebsch talk contribs moved page Construction:Machine learning force field calculations: Basics to Machine learning force field calculations: Basics without leaving a redirect
14:01, 5 May 2023 Huebsch talk contribs deleted page Machine learning force field calculations: Basics (Deleted to make way for move from "Construction:Machine learning force field calculations: Basics")
13:06, 3 May 2023 Huebsch talk contribs created page Ensemble (Redirected page to Category:Ensembles) Tag: New redirect
13:04, 3 May 2023 Huebsch talk contribs moved page Construction:Category:Ensembles to Category:Ensembles without leaving a redirect
13:04, 3 May 2023 Huebsch talk contribs deleted page Category:Ensembles (Deleted to make way for move from "Construction:Category:Ensembles")
09:03, 28 April 2023 Karsai talk contribs deleted page Construction:ML MCONF (content before blanking was: "{{DISPLAYTITLE:ML_MCONF}} {{TAGDEF|ML_MCONF|[integer]|see below}} Description: This tag sets the maximum number of structures stored in memory that are used for training in the machine learning force field method. ---- The defaults for {{TAG|ML_MCONF}} are different for each different {{TAG|ML_MODE}} setting. Here are the defaults for each mode: *{{TAG|ML_MODE}}='TRAIN': **No {{TAG|ML_AB}} present (learning from scratch): <math>\quad</math> min(1500, max(1,{{T...")
16:41, 27 April 2023 Karsai talk contribs created page Construction:ML MCONF (Created page with "{{DISPLAYTITLE:ML_MCONF}} {{TAGDEF|ML_MCONF|[integer]|1500}} Description: This tag sets the maximum number of structures stored in memory which are used for training in the m...")
11:40, 24 April 2023 Huebsch talk contribs moved page Construction:NVT ensemble to NVT ensemble without leaving a redirect
11:40, 24 April 2023 Huebsch talk contribs deleted page NVT ensemble (Deleted to make way for move from "Construction:NVT ensemble")
11:40, 24 April 2023 Huebsch talk contribs moved page Construction:NVE ensemble to NVE ensemble without leaving a redirect
11:40, 24 April 2023 Huebsch talk contribs deleted page NVE ensemble (Deleted to make way for move from "Construction:NVE ensemble")
11:39, 24 April 2023 Huebsch talk contribs moved page Construction:NpT ensemble to NpT ensemble without leaving a redirect
11:39, 24 April 2023 Huebsch talk contribs deleted page NpT ensemble (Deleted to make way for move from "Construction:NpT ensemble")
11:38, 24 April 2023 Huebsch talk contribs moved page Construction:NpH ensemble to NpH ensemble without leaving a redirect
11:38, 24 April 2023 Huebsch talk contribs deleted page NpH ensemble (Deleted to make way for move from "Construction:NpH ensemble")