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Show new changes starting from 12:40, 18 December 2024
   
 
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18 December 2024

     11:46  Template:Cite‎‎ 8 changes history +411 [Ftran‎ (8×)]
     
11:46 (cur | prev) +4 Ftran talk contribs
     
11:41 (cur | prev) −254 Ftran talk contribs
     
11:38 (cur | prev) −24 Ftran talk contribs
     
11:31 (cur | prev) +119 Ftran talk contribs
     
11:29 (cur | prev) −118 Ftran talk contribs
     
11:14 (cur | prev) +1 Ftran talk contribs
     
11:13 (cur | prev) +336 Ftran talk contribs
     
11:03 (cur | prev) +347 Ftran talk contribs
     11:29  KPUSE diffhist −7 Wolloch talk contribs (→‎Related tags and articles)
     11:29  EINT diffhist −7 Wolloch talk contribs (→‎Related tags and articles)
     11:29  NBMOD diffhist −7 Wolloch talk contribs (→‎Related tags and articles) Tag: Manual revert
     11:28  IBAND diffhist −7 Wolloch talk contribs
     11:28  LPARD diffhist −14 Wolloch talk contribs
N    11:27  LPARDH5‎‎ 2 changes history +831 [Wolloch‎ (2×)]
     
11:27 (cur | prev) +37 Wolloch talk contribs
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11:23 (cur | prev) +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....")
     11:26  METAGGA‎‎ 6 changes history −43 [Ftran‎ (6×)]
     
11:26 (cur | prev) −69 Ftran talk contribs
     
11:20 (cur | prev) −439 Ftran talk contribs
     
11:15 (cur | prev) −3 Ftran talk contribs
     
11:08 (cur | prev) 0 Ftran talk contribs
     
11:04 (cur | prev) +469 Ftran talk contribs
     
10:49 (cur | prev) −1 Ftran talk contribs
     11:07  Changelog‎‎ 8 changes history +258 [Csheldon‎ (8×)]
     
11:07 (cur | prev) 0 Csheldon talk contribs (→‎FEATURE)
     
10:59 (cur | prev) +12 Csheldon talk contribs (→‎FEATURE)
     
10:59 (cur | prev) −1 Csheldon talk contribs (→‎FEATURE)
     
10:59 (cur | prev) +97 Csheldon talk contribs (→‎6.5.0)
     
10:58 (cur | prev) +21 Csheldon talk contribs (→‎FEATURE)
     
10:56 (cur | prev) +1 Csheldon talk contribs (→‎FEATURE)
     
10:55 (cur | prev) +18 Csheldon talk contribs (→‎FEATURE)
     
10:50 (cur | prev) +110 Csheldon talk contribs (→‎6.5.0)
     11:02  Construction:Partial charge densities and STM simulations‎‎ 3 changes history +108 [Wolloch‎ (3×)]
     
11:02 (cur | prev) −5 Wolloch talk contribs (→‎Input tags for selecting and writing the partial charges)
     
10:58 (cur | prev) +47 Wolloch talk contribs (→‎Input tags for selecting and writing the partial charges)
     
10:56 (cur | prev) +66 Wolloch talk contribs (→‎Input tags for selecting and writing the partial charges)
     10:59  (Deletion log) [Jona‎ (6×)]
     
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...")
     
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...")
     
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...")
     
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...")
     
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}} =...")
     
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...")
     10:54  PLUGINS/LOCAL POTENTIAL‎‎ 3 changes history −3 [Schlipf‎ (3×)]
     
10:54 (cur | prev) −19 Schlipf talk contribs (→‎Related tags and articles)
     
10:53 (cur | prev) −142 Schlipf talk contribs (→‎Modifying quantities)
     
10:48 (cur | prev) +158 Schlipf talk contribs (→‎Expected inputs)
     10:54  PLUGINS/FORCE AND STRESS‎‎ 3 changes history −243 [Schlipf‎ (3×)]
     
10:54 (cur | prev) −19 Schlipf talk contribs (→‎Related tags and articles)
     
10:53 (cur | prev) +36 Schlipf talk contribs (→‎Related tags and articles)
     
10:51 (cur | prev) −260 Schlipf talk contribs (→‎Modifying quantities)
     10:51  Category:Electrostatics‎‎ 2 changes history +222 [Svijay‎ (2×)]
     
10:51 (cur | prev) +185 Svijay talk contribs (→‎Summary of relevant INCAR tags)
     
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