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18 December 2024
| N 11:23 | LPARDH5 diffhist +794 Wolloch talk contribs (Created page with "{{TAGDEF|LPARDH5|[logical]|.FALSE.}} Description: Determines whether partial (band and/or '''k'''-point-decomposed) charge densities are written to {{FILE|vaspout.h5}} instead of {{FILE|PARCHG}}. {{NB|mind|This tag is only available as of VASP.6.5.0.}} ---- IF {{TAG|LPARDH5}} = .TRUE., the partial charge density from a post-processing run with {{TAG|LPARD}} = .TRUE. can be analyzed with {{py4vasp}}. E.g. for the simulation of scanning tunneling microscopy (STM) images....") | ||||
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11:20 | METAGGA 7 changes history +449 [Ftran (7×)] | |||
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11:20 (cur | prev) −439 Ftran talk contribs | ||||
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11:04 (cur | prev) +469 Ftran talk contribs | ||||
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10:49 (cur | prev) −1 Ftran talk contribs | ||||
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10:48 (cur | prev) +19 Ftran talk contribs | ||||
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10:43 (cur | prev) +404 Ftran talk contribs | ||||
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11:14 | Template:Cite 3 changes history +684 [Ftran (3×)] | |||
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11:14 (cur | prev) +1 Ftran talk contribs | ||||
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11:13 (cur | prev) +336 Ftran talk contribs | ||||
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11:03 (cur | prev) +347 Ftran talk contribs | ||||
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11:07 | Changelog 13 changes history +616 [Csheldon (13×)] | |||
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11:07 (cur | prev) 0 Csheldon talk contribs (→FEATURE) | ||||
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10:59 (cur | prev) +12 Csheldon talk contribs (→FEATURE) | ||||
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10:59 (cur | prev) −1 Csheldon talk contribs (→FEATURE) | ||||
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10:59 (cur | prev) +97 Csheldon talk contribs (→6.5.0) | ||||
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10:58 (cur | prev) +21 Csheldon talk contribs (→FEATURE) | ||||
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10:56 (cur | prev) +1 Csheldon talk contribs (→FEATURE) | ||||
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10:55 (cur | prev) +18 Csheldon talk contribs (→FEATURE) | ||||
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10:50 (cur | prev) +110 Csheldon talk contribs (→6.5.0) | ||||
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10:47 (cur | prev) +8 Csheldon talk contribs (→6.5.0) | ||||
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10:46 (cur | prev) +155 Csheldon talk contribs (→6.5.0) | ||||
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10:44 (cur | prev) +167 Csheldon talk contribs (→FEATURE) | ||||
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10:43 (cur | prev) +27 Csheldon talk contribs (→IMPROVEMENT) | ||||
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10:42 (cur | prev) +1 Csheldon talk contribs (→IMPROVEMENT) | ||||
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10:59 | (Deletion log) [Jona (6×)] | |||
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10:59 Jona talk contribs deleted page Construction:Müller-Plathe method (content was: "The thermal conductivity <math>\lambda</math> can be obtained by Fourier's law <math> \mathbf{J} = -\lambda \nabla T </math>, where <math>\mathbf{J}</math> is the heat-flux vector and <math> \nabla T=\partial T/\partial \mathbf{a}_i</math> is the temperature gradient. In reverse nonequilibrium molecular dynamics proposed by Müller-Plathe{{Cite|mueller-plathe:jcp:1997}}, a temperature gradient (<math>\partial T/\partial \mathbf{a}_i </math>) along selected lattice axis <math...") | ||||
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10:59 Jona talk contribs deleted page Construction:FMP DIRECTION (content was: "{{DISPLAYTITLE:FMP_DIRECTION}} {{TAGDEF|FMP_DIRECTION|1 {{!}} 2 {{!}} 3 | 3}} Description: Index of the lattice vector <math>\mathbf{a}_i</math> along which the temperature gradient is created in the (Müller-Plathe method). ----- {{TAG|FMP_DIRECTION}} defines the index of the lattice vector <math>\mathbf{a}_i</math> along which the gradient <math>\partial T/\partial \mathbf{a}_i </math> is created during the reverse nonequilibrium molecular-dynamics run using the Mül...") | ||||
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10:58 Jona talk contribs deleted page Construction:FMP PERIOD (content was: "{{DISPLAYTITLE:FMP_PERIOD}} {{TAGDEF|FMP_PERIOD|integer | 10}} Description: Number of time steps between two swapping events in the Müller-Plathe method. ----- This tag defines how many MD steps are done between two consecutive velocity-swapping events. The period is counted in MD steps and not in simulation time. {{NB|mind|This tag will only be available from VASP 6.4.4}} == Related tags and articles == Müller-Plathe method, {{TAG|FMP_ACTIVE}}, {{TAG|FMP_DIRECTION...") | ||||
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10:57 Jona talk contribs deleted page Construction:FMP SNUMBER (content was: "{{DISPLAYTITLE:FMP_SNUMBER}} {{TAGDEF|FMP_SNUMBER|integer | 10}} Description: Number of slabs perpendicular to the temperature gradient in the Müller-Plathe method. ----- {{TAG|FMP_SNUMBER}} defines the number of slabs perpendicular to the lattice vector <math>\mathbf{a}_i</math> along which the gradient <math>\partial T/\partial \mathbf{a}_i </math> is created during the reverse nonequilibrium molecular dynamics run using the Müller-Plathe method. {{NB|mind|This t...") | ||||
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10:57 Jona talk contribs deleted page Construction:FMP SWAPNUM (content was: "{{DISPLAYTITLE:FMP_SWAPNUM}} {{TAGDEF|FMP_SWAPNUM|integer | 1}} Description: Number of pairs that are exchanged in a single swapping event in the Müller-Plathe method. ----- {{TAG|FMP_SWAPNUM}} defines the number of pairs of particles exchanged in a single swapping event of the reverse nonequilibrium molecular dynamics run using the Müller-Plathe method. Only the particles of the same type are selected. {{NB|mind|This tag will only be available from VASP 6.4.4}} =...") | ||||
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10:56 Jona talk contribs deleted page Construction:FMP ACTIVE (content was: "{{DISPLAYTITLE:FMP_ACTIVE}} {{TAGDEF|FMP_ACTIVE|logical (aray)}} {{DEF|FMP_ACTIVE|NIONS * False|}} Description: Select which atom types in the {{FILE|POSCAR}}-file participate in swapping 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. {{NB|mind|Th...") | ||||
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10:54 | PLUGINS/LOCAL POTENTIAL 3 changes history −3 [Schlipf (3×)] | |||
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10:54 (cur | prev) −19 Schlipf talk contribs (→Related tags and articles) | ||||
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10:53 (cur | prev) −142 Schlipf talk contribs (→Modifying quantities) | ||||
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10:48 (cur | prev) +158 Schlipf talk contribs (→Expected inputs) | ||||
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10:54 | PLUGINS/FORCE AND STRESS 4 changes history −248 [Svijay; Schlipf (3×)] | |||
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10:54 (cur | prev) −19 Schlipf talk contribs (→Related tags and articles) | ||||
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10:53 (cur | prev) +36 Schlipf talk contribs (→Related tags and articles) | ||||
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10:51 (cur | prev) −260 Schlipf talk contribs (→Modifying quantities) | ||||
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10:43 (cur | prev) −5 Svijay talk contribs (→Related tags and articles) | ||||
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10:51 | Category:Electrostatics 2 changes history +222 [Svijay (2×)] | |||
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10:51 (cur | prev) +185 Svijay talk contribs (→Summary of relevant INCAR tags) | ||||
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10:51 (cur | prev) +37 Svijay talk contribs (→Summary of relevant INCAR tags) | ||||
| N 10:51 | Template:WARN PLUGINS CONSTANTS diffhist +286 Schlipf talk contribs (Created page with "{{NB| warning | You should not make modifications to quantities in <code>constants</code>. We implemented some safeguards to prevent accidental modifications. Intentional changes will lead to erratic behavior because we may change the VASP code assuming these quantities are constant.}}") | ||||
| 10:48 | KERNEL TRUNCATION/ISURFACE diffhist +24 Svijay talk contribs | ||||
| 10:48 | KERNEL TRUNCATION/IDIMENSIONALITY diffhist +24 Svijay talk contribs | ||||
| 10:48 | KERNEL TRUNCATION/LCOARSEN diffhist +24 Svijay talk contribs | ||||
| 10:48 | KERNEL TRUNCATION/LTRUNCATE diffhist +24 Svijay talk contribs | ||||
| 10:47 | Move log Schlipf talk contribs moved page Construction:PLUGINS/LOCAL POTENTIAL to PLUGINS/LOCAL POTENTIAL | ||||
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10:45 | PLUGINS/OCCUPANCIES 2 changes history −245 [Svijay (2×)] | |||
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10:45 (cur | prev) +3 Svijay talk contribs (→Related tags and articles) | ||||
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10:44 (cur | prev) −248 Svijay talk contribs (→Related tags and articles) | ||||