User contributions for Schlipf
7 April 2022
- 08:5508:55, 7 April 2022 diff hist +117 Category:Interface pinning →How to
- 08:4708:47, 7 April 2022 diff hist −72 Category:Interface pinning No edit summary
- 08:4608:46, 7 April 2022 diff hist −2 Category:Interface pinning →How to
- 08:4008:40, 7 April 2022 diff hist +198 Category:Interface pinning No edit summary
- 07:3407:34, 7 April 2022 diff hist −31 RANDOM SEED No edit summary
6 April 2022
- 14:3014:30, 6 April 2022 diff hist +59 KPOINTS No edit summary
- 14:1714:17, 6 April 2022 diff hist +26,782 N KPOINTS Created page with "The {{FILE|KPOINTS}} file is used to specify the Bloch vectors (k-points) that will be used to sample the Brillouin zone in your calculation. There are several different ways..."
- 13:5413:54, 6 April 2022 diff hist +52 Performance issues, try NCORE, KPAR, ALGO, LREAL No edit summary current
- 13:4213:42, 6 April 2022 diff hist +146 Parallelization →Additional parallelization options
- 13:3813:38, 6 April 2022 diff hist +28 NCORE IN IMAGE1 No edit summary
- 13:3413:34, 6 April 2022 diff hist +115 Parallelization →Additional parallelization options
- 13:3113:31, 6 April 2022 diff hist −52 NATURALO No edit summary
- 13:2513:25, 6 April 2022 diff hist +447 Parallelization →OpenMP/OpenACC
- 13:1013:10, 6 April 2022 diff hist +180 Parallelization →Additional parallelization options
- 13:0413:04, 6 April 2022 diff hist +70 Parallelization →Optimizing the parallelization
- 13:0313:03, 6 April 2022 diff hist +946 Parallelization →Caveat about the MPI setup
- 12:3812:38, 6 April 2022 diff hist +1,805 Parallelization No edit summary
- 08:0508:05, 6 April 2022 diff hist +1,013 N Parallelization Created page with "For many complex problems, a single core is not enough to finish the calculation in a reasonable time. VASP makes use of parallel machines splitting the calculation into many..."
- 07:5807:58, 6 April 2022 diff hist +28 OpenACC GPU port of VASP No edit summary Tag: Visual edit: Switched
30 March 2022
- 13:0013:00, 30 March 2022 diff hist −9 EFERMI No edit summary
- 12:5812:58, 30 March 2022 diff hist +3 EFERMI No edit summary
- 12:5412:54, 30 March 2022 diff hist +73 EFERMI No edit summary
- 12:5312:53, 30 March 2022 diff hist +197 EFERMI No edit summary
- 08:0508:05, 30 March 2022 diff hist +1,151 N EFERMI Created page with "{{TAGDEF|EFERMI|MIDGAP {{!}} LEGACY {{!}} [real]|MIDGAP}} Description: Defines how the Fermi energy is calculated in VASP. ---- For semiconducting materials, the Fermi ener..."
- 07:5707:57, 30 March 2022 diff hist 0 EMIN No edit summary Tag: Visual edit: Switched
- 07:4007:40, 30 March 2022 diff hist +20 STOP ON No edit summary
23 March 2022
- 11:5211:52, 23 March 2022 diff hist −5 INCAR No edit summary
- 08:5108:51, 23 March 2022 diff hist +5 m INCAR No edit summary Tag: Visual edit
- 08:4608:46, 23 March 2022 diff hist +448 INCAR No edit summary Tag: Visual edit: Switched
2 November 2021
- 07:5807:58, 2 November 2021 diff hist +175 LOPTICS No edit summary Tag: Visual edit: Switched
21 June 2021
- 08:4608:46, 21 June 2021 diff hist +3 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations Tag: Visual edit
26 March 2021
- 11:4111:41, 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
15 February 2021
- 09:3409:34, 15 February 2021 diff hist +105 IVDW No edit summary Tag: Visual edit: Switched
9 September 2020
- 09:3809:38, 9 September 2020 diff hist −22 NSTORB No edit summary
- 09:3709:37, 9 September 2020 diff hist −22 MP2 No edit summary
21 February 2020
- 08:1508:15, 21 February 2020 diff hist +2 Fcc Si bandstructure →CALCULATION current
20 February 2020
- 15:2915:29, 20 February 2020 diff hist −1 O atom →stdout
- 15:2715:27, 20 February 2020 diff hist 0 O atom →stdout
14 January 2020
- 10:1510:15, 14 January 2020 diff hist +43 ISTART No edit summary
- 10:1410:14, 14 January 2020 diff hist +105 ISTART No edit summary
29 November 2019
- 13:5613:56, 29 November 2019 diff hist −3 NUPDOWN No edit summary
- 13:4913:49, 29 November 2019 diff hist +9 NUPDOWN No edit summary
28 November 2019
- 15:2715:27, 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..."
8 October 2019
- 16:1516:15, 8 October 2019 diff hist −1 ISMEAR No edit summary
23 August 2019
- 13:2413:24, 23 August 2019 diff hist +1 Liquid Si - MLFF →Obtaining a more accurate force field
- 13:1813:18, 23 August 2019 diff hist −16 Liquid Si - MLFF →Production runs using the optimized parameters
- 11:5711:57, 23 August 2019 diff hist −305 Liquid Si - MLFF →Optimizing weights of energy, forces and stress
- 11:4111:41, 23 August 2019 diff hist −587 Liquid Si - MLFF →Optimizing weights on energy, forces and stress
- 11:3711:37, 23 August 2019 diff hist +2 Liquid Si - MLFF →Obtaining more accurate force field
- 10:3910:39, 23 August 2019 diff hist −70 Liquid Si - MLFF →User task
- 10:3710:37, 23 August 2019 diff hist −308 Liquid Si - MLFF →Obtaining more accurate force field
- 09:4109:41, 23 August 2019 diff hist −206 Liquid Si - MLFF →Obtaining more accurate force field
22 August 2019
- 16:3116:31, 22 August 2019 diff hist +185 Liquid Si - MLFF →Structral properties of the force field
- 16:1016:10, 22 August 2019 diff hist +3 Liquid Si - MLFF →Structral properties of the force field
- 16:0916:09, 22 August 2019 diff hist −7,190 Liquid Si - MLFF →Structral properties of the force field
- 14:5214:52, 22 August 2019 diff hist +150 Liquid Si - MLFF →Structral properties of the force field
- 14:2714:27, 22 August 2019 diff hist +48 Liquid Si - MLFF No edit summary
- 14:2314:23, 22 August 2019 diff hist −3 Liquid Si - MLFF →Creating the liquid structure
- 13:4013:40, 22 August 2019 diff hist −13 Liquid Si - MLFF →{{TAG|POSCAR}}
- 13:3913:39, 22 August 2019 diff hist −312 Liquid Si - MLFF No edit summary
10 May 2019
- 13:0913:09, 10 May 2019 diff hist −794 LMIXTAU No edit summary
- 13:0913:09, 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
- 13:0113:01, 10 May 2019 diff hist +36 LMIXTAU No edit summary
- 13:0013:00, 10 May 2019 diff hist +27 LMIXTAU No edit summary
- 12:4412:44, 10 May 2019 diff hist −280 MAGMOM No edit summary
- 12:2412:24, 10 May 2019 diff hist +25 Category:Electronic minimization →Theory
- 12:2312:23, 10 May 2019 diff hist +21 Category:Electronic minimization →Theory
- 12:2012:20, 10 May 2019 diff hist +30 Category:Density mixing No edit summary
- 12:1712:17, 10 May 2019 diff hist +639 Category:Density mixing No edit summary
- 12:1712:17, 10 May 2019 diff hist +143 Template:Cite No edit summary
- 12:0712:07, 10 May 2019 diff hist +150 Template:Cite No edit summary
- 11:0011:00, 10 May 2019 diff hist +1,057 Category:Density mixing No edit summary
- 11:0011:00, 10 May 2019 diff hist +183 Template:Cite No edit summary
- 09:3209:32, 10 May 2019 diff hist +86 Category:Density mixing No edit summary
- 09:3109:31, 10 May 2019 diff hist +32 Category:Density mixing No edit summary
- 09:2509:25, 10 May 2019 diff hist +82 N Category:Density mixing Created page with "Category:Electronic MinimizationCategory:Density MixingCategory:Theory"
- 09:1609:16, 10 May 2019 diff hist +38 N Category:Mixing Schlipf moved page Category:Mixing to Category:Density Mixing
- 09:1509:15, 10 May 2019 diff hist +8 WC No edit summary
- 09:1509:15, 10 May 2019 diff hist +8 MIXPRE No edit summary
- 09:1409:14, 10 May 2019 diff hist +8 MAXMIX No edit summary
- 09:1409:14, 10 May 2019 diff hist +8 INIMIX No edit summary
- 09:1409:14, 10 May 2019 diff hist +8 IMIX No edit summary
- 09:1409:14, 10 May 2019 diff hist +8 BMIX MAG No edit summary
- 09:1309:13, 10 May 2019 diff hist +8 BMIX No edit summary
- 09:1309:13, 10 May 2019 diff hist +8 AMIX MAG No edit summary
- 09:1209:12, 10 May 2019 diff hist +1 AMIN No edit summary
- 09:1209:12, 10 May 2019 diff hist +8 AMIX No edit summary
- 09:1209:12, 10 May 2019 diff hist +7 AMIN No edit summary
10 April 2019
- 08:1708:17, 10 April 2019 diff hist +1 Electron-phonon interactions theory No edit summary
- 08:0708:07, 10 April 2019 diff hist +2 Template:Reference No edit summary current
- 08:0108:01, 10 April 2019 diff hist 0 Template:Reference No edit summary
5 April 2019
- 10:5010:50, 5 April 2019 diff hist +46 User:Schlipf/common.css No edit summary current
- 10:4910:49, 5 April 2019 diff hist +39 N User:Schlipf/common.css Created page with "body { background-color: lightblue; }"
- 10:0810:08, 5 April 2019 diff hist +1 FAQ →Why is the cohesive energy much large than reported in other papers?
- 10:0110:01, 5 April 2019 diff hist +11 K-point integration No edit summary
- 09:3009:30, 5 April 2019 diff hist +18 Wrap-around errors No edit summary
15 March 2019
- 09:3209:32, 15 March 2019 diff hist +1 Template:Cite No edit summary
- 09:3109:31, 15 March 2019 diff hist +38 Template:Cite No edit summary
- 09:3009:30, 15 March 2019 diff hist +45 N Template:Topic Created page with "{{#ifeq: {{{show}}}|all|=== {{{title}}} ===}}" current
- 09:2109:21, 15 March 2019 diff hist +340 Template:Cite No edit summary