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Jump to navigationJump to search- 11:41, 26 March 2021 diff hist +717 N Construction talk:Wiki style guide Created page with "== Spelling == * I would prefer PAWs over PAW's. * I'm not so sure about {{VASP}} in small caps. Using a template is a good idea, though. == Footnotes, links and references..." current
- 09:51, 15 February 2021 diff hist +28 Installing VASP.6.X.X Link to precompiler flags
- 09:50, 15 February 2021 diff hist +245 Precompiler flags DFTD4 Tag: Visual edit: Switched
- 09:44, 15 February 2021 diff hist +265 Installing VASP.6.X.X add DFTD4 Tag: Visual edit
- 09:34, 15 February 2021 diff hist +105 IVDW Tag: Visual edit: Switched
- 09:38, 9 September 2020 diff hist -22 NSTORB current
- 09:37, 9 September 2020 diff hist -22 MP2 current
- 06:45, 15 July 2020 diff hist +90 KPOINTS →Monkhorst-Pack current
- 08:15, 21 February 2020 diff hist +2 Fcc Si bandstructure →CALCULATION current
- 15:29, 20 February 2020 diff hist -1 O atom →stdout current
- 15:27, 20 February 2020 diff hist 0 O atom →stdout
- 10:15, 14 January 2020 diff hist +43 ISTART current
- 10:14, 14 January 2020 diff hist +105 ISTART
- 13:56, 29 November 2019 diff hist -3 NUPDOWN current
- 13:49, 29 November 2019 diff hist +9 NUPDOWN
- 15:27, 28 November 2019 diff hist +766 N STOP ON Created page with "{{TAGDEF|STOP_ON|Error{{!}}Alert|Error}} Description: {{TAG|STOP_ON}} defines if the code should stop on errors only or also on alerts. ---- There are two instances, why on..." current
- 16:15, 8 October 2019 diff hist -1 ISMEAR
- 13:24, 23 August 2019 diff hist +1 Liquid Si - MLFF →Obtaining a more accurate force field
- 13:18, 23 August 2019 diff hist -16 Liquid Si - MLFF →Production runs using the optimized parameters
- 11:57, 23 August 2019 diff hist -305 Liquid Si - MLFF →Optimizing weights of energy, forces and stress
- 11:41, 23 August 2019 diff hist -587 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
- 11:37, 23 August 2019 diff hist +2 Liquid Si - MLFF →Obtaining more accurate force field
- 10:39, 23 August 2019 diff hist -70 Liquid Si - MLFF →User task
- 10:37, 23 August 2019 diff hist -308 Liquid Si - MLFF →Obtaining more accurate force field
- 09:41, 23 August 2019 diff hist -206 Liquid Si - MLFF →Obtaining more accurate force field
- 16:31, 22 August 2019 diff hist +185 Liquid Si - MLFF →Structral properties of the force field
- 16:10, 22 August 2019 diff hist +3 Liquid Si - MLFF →Structral properties of the force field
- 16:09, 22 August 2019 diff hist -7,190 Liquid Si - MLFF →Structral properties of the force field
- 15:17, 22 August 2019 diff hist -207 Pair correlation script current
- 15:16, 22 August 2019 diff hist +12 Pair correlation script
- 15:14, 22 August 2019 diff hist +208 Pair correlation script
- 15:13, 22 August 2019 diff hist +7,043 N Pair correlation script Created page with "#!/usr/bin/perl use strict; use warnings; #configuration for which ensemble average is to be calculated my $confmin=1; #starting index of configurations in XDATCA..."
- 14:52, 22 August 2019 diff hist +150 Liquid Si - MLFF →Structral properties of the force field
- 14:27, 22 August 2019 diff hist +48 Liquid Si - MLFF
- 14:23, 22 August 2019 diff hist -3 Liquid Si - MLFF →Creating the liquid structure
- 13:40, 22 August 2019 diff hist -13 Liquid Si - MLFF →{{TAG|POSCAR}}
- 13:39, 22 August 2019 diff hist -312 Liquid Si - MLFF
- 16:13, 21 August 2019 diff hist -961 Machine learning force field calculations: Basics
- 15:48, 21 August 2019 diff hist -1,733 Machine learning force field calculations: Basics
- 15:25, 21 August 2019 diff hist +265 Machine learning force field calculations: Basics
- 15:05, 21 August 2019 diff hist -459 Machine learning force field calculations: Basics →How to run machine learning force field calculations
- 13:20, 21 August 2019 diff hist +1 Machine learning force field: Theory →Descriptor
- 13:17, 21 August 2019 diff hist -83 Machine learning force field: Theory →Algorithm
- 12:31, 21 August 2019 diff hist +13 Category:Machine Learning
- 13:10, 10 May 2019 diff hist +51 Category:Density Mixing →How to current
- 13:09, 10 May 2019 diff hist -794 LMIXTAU current
- 13:09, 10 May 2019 diff hist +828 N Kinetic-energy density mixing Created page with "For the density mixing schemes to work reliably, the charge density mixer must be aware of all quantities that affect the total energy during the self-consistency cycle. For a..." current
- 13:01, 10 May 2019 diff hist +36 LMIXTAU
- 13:00, 10 May 2019 diff hist +27 LMIXTAU
- 12:57, 10 May 2019 diff hist -1 Category:Density Mixing
