User contributions for Vaspmaster
11 April 2024
- 08:0808:08, 11 April 2024 diff hist +74 Toolchains No edit summary current
10 April 2024
- 19:2919:29, 10 April 2024 diff hist −326 Toolchains No edit summary
- 19:2719:27, 10 April 2024 diff hist +14 Toolchains →VASP.6.4.3
- 19:2019:20, 10 April 2024 diff hist −26 Known issues No edit summary current
3 April 2024
- 13:2913:29, 3 April 2024 diff hist +232 Known issues No edit summary
- 13:2413:24, 3 April 2024 diff hist +234 Known issues No edit summary
22 March 2024
- 11:4711:47, 22 March 2024 diff hist +5 Known issues No edit summary
20 March 2024
- 13:4413:44, 20 March 2024 diff hist +1,164 Toolchains No edit summary
- 13:4313:43, 20 March 2024 diff hist +181 Talk:Toolchains No edit summary current
- 10:2810:28, 20 March 2024 diff hist +219 Talk:Toolchains No edit summary
- 08:3208:32, 20 March 2024 diff hist −18 Talk:Toolchains No edit summary
19 March 2024
- 16:5916:59, 19 March 2024 diff hist +16 Talk:Toolchains No edit summary
- 16:5516:55, 19 March 2024 diff hist +228 Talk:Toolchains No edit summary
- 16:5016:50, 19 March 2024 diff hist +180 Talk:Toolchains No edit summary
- 16:3216:32, 19 March 2024 diff hist +17 Talk:Toolchains No edit summary
- 16:3116:31, 19 March 2024 diff hist +340 Talk:Toolchains No edit summary
- 16:2716:27, 19 March 2024 diff hist 0 Known issues No edit summary
- 11:0811:08, 19 March 2024 diff hist −1 Changelog No edit summary
- 11:0811:08, 19 March 2024 diff hist +94 Changelog No edit summary
- 10:5910:59, 19 March 2024 diff hist +54 Changelog No edit summary
13 March 2024
- 12:1312:13, 13 March 2024 diff hist +20 Changelog →IMPROVEMENT
- 11:5211:52, 13 March 2024 diff hist −15,835 Talk:Known issues Blanked the page current Tag: Blanking
- 11:5011:50, 13 March 2024 diff hist +24 Changelog →IMPROVEMENT
- 11:4911:49, 13 March 2024 diff hist +35 Changelog →IMPROVEMENT
- 11:4511:45, 13 March 2024 diff hist +364 Known issues No edit summary
- 11:4011:40, 13 March 2024 diff hist +4 Known issues No edit summary
- 11:1911:19, 13 March 2024 diff hist −58 Known issues No edit summary
- 11:1611:16, 13 March 2024 diff hist −11 Talk:Known issues No edit summary
- 11:1511:15, 13 March 2024 diff hist −3 Talk:Known issues No edit summary
- 11:1411:14, 13 March 2024 diff hist −41 Talk:Known issues No edit summary
- 11:0911:09, 13 March 2024 diff hist 0 Talk:Known issues No edit summary
- 10:5610:56, 13 March 2024 diff hist +15,890 N Talk:Known issues Created page with "Below we provide an '''incomplete''' list of known issues. Please mind the description to see whether the issue has been fixed. Color legend: <span style="background:#EAAEB2">Open</span> <span style="background:#ACE9E5">Resolved</span> <span style="background:#9AB7FE">Planned</span> <span style="background:#CBCBCB">Obsolete</span> {| class="sortable wikitable" |- ! style=width:5em | Version fixed !! style="text-align:center;"| Version first noticed !! Date !! Descri..."
- 10:4410:44, 13 March 2024 diff hist +5 Known issues No edit summary Tag: Visual edit: Switched
- 10:3310:33, 13 March 2024 diff hist 0 Changelog →FEATURE
- 10:2110:21, 13 March 2024 diff hist 0 Changelog →6.4.3
- 10:2010:20, 13 March 2024 diff hist 0 Changelog →FEATURE
- 10:1810:18, 13 March 2024 diff hist +23 Changelog →BUGFIX
- 10:0810:08, 13 March 2024 diff hist +1 Changelog →BUGFIX
- 10:0710:07, 13 March 2024 diff hist +75 Changelog No edit summary
12 March 2024
- 17:0017:00, 12 March 2024 diff hist +15 Changelog No edit summary
- 16:5916:59, 12 March 2024 diff hist +8,307 N Changelog Created page with "== 6.4.3 == ==== FEATURE ==== * Non-blocked Davidson minimizer ({{TAG|ALGO}} = dav <-> {{TAG|IALGO}} = 119). * Increased flexibility in the choice of exchange-correlation functionals: added the tags {{TAG|XC}} and {{TAG|XC_C}} to specify linear combinations of exchange-correlation functionals. * Spline interpolation of the electronic structure factor for k-point convergence acceleration of RPA correlation energies. * CSVR thermostat of Bussi et al. * Write potential (to..."
19 February 2024
- 17:0017:00, 19 February 2024 diff hist +12 Known issues No edit summary
9 February 2024
- 10:0410:04, 9 February 2024 diff hist −11 BEXT No edit summary
- 10:0310:03, 9 February 2024 diff hist −3 BEXT No edit summary
- 10:0210:02, 9 February 2024 diff hist +1 BEXT No edit summary
- 10:0210:02, 9 February 2024 diff hist −1 BEXT No edit summary
- 10:0110:01, 9 February 2024 diff hist +13 BEXT No edit summary
8 February 2024
- 21:0621:06, 8 February 2024 diff hist −1 BEXT No edit summary Tag: Manual revert
- 21:0621:06, 8 February 2024 diff hist +1 BEXT No edit summary Tag: Reverted
- 19:1519:15, 8 February 2024 diff hist −1 BEXT No edit summary
- 19:1419:14, 8 February 2024 diff hist +2 BEXT No edit summary
- 17:1017:10, 8 February 2024 diff hist +2,484 N BEXT Created page with "{{DISPLAYTITLE:BEXT}} {{TAGDEF|BEXT|[real array]}} {{DEF|BEXT|0.0|if {{TAG|ISPIN}}{{=}}2|3*0.0|if {{TAG|LNONCOLLINEAR}}{{=}}.TRUE.| N/A | else}} Description: {{TAG|BEXT}} specifies an external magnetic field. ---- By means of the {{TAG|BEXT}} one may specify an external magnetic field that acts on the electrons in a Zeeman-like manner. This interaction is carried by an additional potential of the following form: * For {{TAG|ISPIN}}=2: :<math> V^{\uparrow} = V^{\uparr..."
- 17:0817:08, 8 February 2024 diff hist +1 Construction:BEXT No edit summary current
- 17:0717:07, 8 February 2024 diff hist +60 Construction:BEXT No edit summary
- 17:0217:02, 8 February 2024 diff hist +33 Construction:BEXT No edit summary
- 17:0017:00, 8 February 2024 diff hist +18 Construction:BEXT No edit summary
- 16:5416:54, 8 February 2024 diff hist +3 Construction:BEXT No edit summary
- 16:5316:53, 8 February 2024 diff hist −3 Construction:BEXT No edit summary
- 16:5216:52, 8 February 2024 diff hist 0 Construction:BEXT No edit summary
- 16:5116:51, 8 February 2024 diff hist +118 Construction:BEXT No edit summary
- 16:4816:48, 8 February 2024 diff hist +36 Construction:BEXT No edit summary
- 16:4716:47, 8 February 2024 diff hist +64 Construction:BEXT No edit summary
- 16:4116:41, 8 February 2024 diff hist 0 Construction:BEXT No edit summary
- 16:4016:40, 8 February 2024 diff hist +414 Construction:BEXT No edit summary
- 16:2016:20, 8 February 2024 diff hist −131 Construction:BEXT No edit summary
- 16:1616:16, 8 February 2024 diff hist +214 Construction:BEXT No edit summary
- 16:0916:09, 8 February 2024 diff hist +4 Construction:BEXT No edit summary
- 16:0816:08, 8 February 2024 diff hist −3 Construction:BEXT No edit summary
- 16:0716:07, 8 February 2024 diff hist +128 Construction:BEXT No edit summary
- 16:0616:06, 8 February 2024 diff hist −2 Construction:BEXT No edit summary
- 16:0516:05, 8 February 2024 diff hist +9 Construction:BEXT No edit summary
- 16:0416:04, 8 February 2024 diff hist +255 Construction:BEXT No edit summary
- 14:5814:58, 8 February 2024 diff hist +125 Construction:BEXT No edit summary
- 14:4214:42, 8 February 2024 diff hist +31 Construction:BEXT No edit summary
- 14:3914:39, 8 February 2024 diff hist +19 Construction:BEXT No edit summary
- 14:3714:37, 8 February 2024 diff hist +96 Construction:BEXT No edit summary
- 12:5912:59, 8 February 2024 diff hist +413 Construction:BEXT No edit summary
- 12:3412:34, 8 February 2024 diff hist +156 Construction:BEXT No edit summary
- 12:2712:27, 8 February 2024 diff hist +21 Construction:BEXT No edit summary
- 11:2811:28, 8 February 2024 diff hist +5 Construction:BEXT No edit summary
7 February 2024
- 15:3415:34, 7 February 2024 diff hist +173 Construction:BEXT No edit summary
- 12:0412:04, 7 February 2024 diff hist +243 N Construction:BEXT Created page with "<!--{{DISPLAYTITLE:BEXT}} --> {{TAGDEF|BEXT|[real array]}} {{DEF|BEXT|0.0|if {{TAG|ISPIN}}{{=}}2|3*0.0|if {{TAG|LNONCOLLINEAR}}{{=}}.TRUE.| N/A | else}} Description: ---- == Related tags and articles == ---- <!-- Category:INCAR tag -->"
- 11:4811:48, 7 February 2024 diff hist −1 LORBIT No edit summary current Tag: Manual revert
- 11:4711:47, 7 February 2024 diff hist +1 LORBIT No edit summary Tag: Reverted
3 February 2024
- 11:4611:46, 3 February 2024 diff hist +1 Construction:Available pseudopotentials →For calculations involving mainly occupied states
2 February 2024
- 12:4212:42, 2 February 2024 diff hist −1 Category:Exchange-correlation functionals No edit summary
19 January 2024
- 15:3715:37, 19 January 2024 diff hist +31 Category:Electronic minimization No edit summary current
- 13:5513:55, 19 January 2024 diff hist 0 Berry phases and finite electric fields →Modern Theory of Polarization current Tag: Manual revert
- 13:5413:54, 19 January 2024 diff hist 0 Berry phases and finite electric fields →Modern Theory of Polarization Tag: Reverted
13 January 2024
- 20:4020:40, 13 January 2024 diff hist −10 IWAVPR No edit summary
16 November 2023
- 10:1710:17, 16 November 2023 diff hist +45 N Talk:ISMEAR Created page with "* {{TAG|ISMEAR}} = -15 needs to be documented" current
14 November 2023
- 12:3212:32, 14 November 2023 diff hist −1,126 Talk:Blocked-Davidson algorithm Replaced content with "* Add related tags and pages section" current Tag: Replaced
- 12:3112:31, 14 November 2023 diff hist +929 Blocked-Davidson algorithm No edit summary current
- 12:2812:28, 14 November 2023 diff hist +17 Talk:Blocked-Davidson algorithm No edit summary
- 12:2412:24, 14 November 2023 diff hist −35 Talk:Blocked-Davidson algorithm No edit summary
- 12:2212:22, 14 November 2023 diff hist +386 Talk:Blocked-Davidson algorithm No edit summary
- 11:2011:20, 14 November 2023 diff hist +207 Talk:Blocked-Davidson algorithm No edit summary
- 09:5509:55, 14 November 2023 diff hist −7 Talk:Blocked-Davidson algorithm No edit summary
- 09:5209:52, 14 November 2023 diff hist +371 Talk:Blocked-Davidson algorithm No edit summary
- 09:4309:43, 14 November 2023 diff hist +92 RMM-DIIS No edit summary current
13 November 2023
- 21:5021:50, 13 November 2023 diff hist +526 RMM-DIIS No edit summary
- 21:4521:45, 13 November 2023 diff hist −2,608 Talk:RMM-DIIS No edit summary current
- 21:4521:45, 13 November 2023 diff hist +2 RMM-DIIS No edit summary
- 21:4321:43, 13 November 2023 diff hist +2,314 RMM-DIIS No edit summary
- 21:3721:37, 13 November 2023 diff hist −323 Talk:Self-consistency cycle No edit summary current
- 21:2721:27, 13 November 2023 diff hist +408 Self-consistency cycle No edit summary current
- 19:5919:59, 13 November 2023 diff hist +1 Talk:RMM-DIIS No edit summary
- 19:5819:58, 13 November 2023 diff hist −10 Talk:RMM-DIIS No edit summary
- 19:5819:58, 13 November 2023 diff hist −50 Talk:RMM-DIIS No edit summary
- 19:5719:57, 13 November 2023 diff hist +3 Talk:RMM-DIIS No edit summary
- 19:5619:56, 13 November 2023 diff hist +542 Talk:RMM-DIIS No edit summary
- 19:5319:53, 13 November 2023 diff hist +1 Talk:RMM-DIIS No edit summary
- 19:5219:52, 13 November 2023 diff hist +323 Talk:Self-consistency cycle No edit summary
- 19:4619:46, 13 November 2023 diff hist +70 Self-consistency cycle No edit summary
- 19:4319:43, 13 November 2023 diff hist +432 Self-consistency cycle No edit summary
- 19:3819:38, 13 November 2023 diff hist −1 Talk:RMM-DIIS No edit summary
- 19:3819:38, 13 November 2023 diff hist +1 Talk:RMM-DIIS No edit summary
- 19:3719:37, 13 November 2023 diff hist +4 Talk:RMM-DIIS No edit summary
- 19:3419:34, 13 November 2023 diff hist +29 Talk:RMM-DIIS No edit summary
- 19:2819:28, 13 November 2023 diff hist +57 Talk:RMM-DIIS No edit summary
- 19:2719:27, 13 November 2023 diff hist +493 Talk:RMM-DIIS No edit summary
- 17:3917:39, 13 November 2023 diff hist +44 Talk:RMM-DIIS No edit summary
- 17:3117:31, 13 November 2023 diff hist 0 File:SCC.png Vaspmaster uploaded a new version of File:SCC.png current
- 17:1517:15, 13 November 2023 diff hist +45 Self-consistency cycle No edit summary
- 17:0117:01, 13 November 2023 diff hist +13 Self-consistency cycle No edit summary
- 16:5416:54, 13 November 2023 diff hist +36 Blocked-Davidson algorithm No edit summary
- 16:4716:47, 13 November 2023 diff hist +87 Self-consistency cycle No edit summary
- 16:4216:42, 13 November 2023 diff hist −7 Self-consistency cycle No edit summary
- 16:4116:41, 13 November 2023 diff hist +40 Self-consistency cycle No edit summary
- 16:3316:33, 13 November 2023 diff hist +8 Self-consistency cycle No edit summary
- 16:3216:32, 13 November 2023 diff hist +248 Self-consistency cycle No edit summary
- 14:5214:52, 13 November 2023 diff hist 0 Talk:RMM-DIIS No edit summary
- 14:5114:51, 13 November 2023 diff hist +400 Talk:RMM-DIIS No edit summary
- 14:2914:29, 13 November 2023 diff hist +1 Talk:RMM-DIIS No edit summary
- 14:2914:29, 13 November 2023 diff hist +369 Talk:RMM-DIIS No edit summary
10 November 2023
- 20:1220:12, 10 November 2023 diff hist +235 Talk:RMM-DIIS No edit summary
- 20:0820:08, 10 November 2023 diff hist +187 Talk:RMM-DIIS No edit summary
- 15:3315:33, 10 November 2023 diff hist +44 Category:Electronic minimization →Self-consistency cycle
9 November 2023
- 17:1717:17, 9 November 2023 diff hist −35 Category talk:Theory No edit summary current
- 17:1017:10, 9 November 2023 diff hist +35 Category talk:Theory No edit summary
- 17:0917:09, 9 November 2023 diff hist −23 Category:Theory No edit summary current
- 17:0917:09, 9 November 2023 diff hist +23 Category:Theory No edit summary
- 17:0817:08, 9 November 2023 diff hist +63 Known issues No edit summary
20 October 2023
- 15:5615:56, 20 October 2023 diff hist +130 N Talk:Self-consistency cycle Created page with "* Explain why we turn to iterative matrix diagonalization instead of simply diagonalizing the Hamiltonian in the plane-wave basis."
- 10:3710:37, 20 October 2023 diff hist +134 Talk:RMM-DIIS No edit summary
- 10:3510:35, 20 October 2023 diff hist +157 Talk:RMM-DIIS No edit summary
- 10:3310:33, 20 October 2023 diff hist +335 N Talk:RMM-DIIS Created page with "There are a few things that remain to be done: * Describe the parallelization strategy (NSIM). * Discuss the things that may go wrong, e.g. "losing" a state. * Mention that a..."
- 10:2810:28, 20 October 2023 diff hist −2 RMM-DIIS No edit summary
- 10:2810:28, 20 October 2023 diff hist +25 RMM-DIIS No edit summary
- 10:2610:26, 20 October 2023 diff hist −1 RMM-DIIS No edit summary
- 10:2510:25, 20 October 2023 diff hist +13 RMM-DIIS No edit summary
- 10:2310:23, 20 October 2023 diff hist +78 RMM-DIIS No edit summary
- 10:2010:20, 20 October 2023 diff hist +889 RMM-DIIS No edit summary
- 08:4808:48, 20 October 2023 diff hist +7 Blocked-Davidson algorithm No edit summary
- 08:2708:27, 20 October 2023 diff hist +37 Talk:Blocked-Davidson algorithm No edit summary
19 October 2023
- 19:2419:24, 19 October 2023 diff hist +5 Talk:Blocked-Davidson algorithm No edit summary
- 19:2419:24, 19 October 2023 diff hist +181 N Talk:Blocked-Davidson algorithm Created page with "Add information in the INCAR tags that control the behaviour of the blocked-Davidson algorithm: * block size (NSIM?) * maximum depth and other break-off criteria (NRMM, DEPER..."
- 19:1619:16, 19 October 2023 diff hist −3 Blocked-Davidson algorithm No edit summary
- 19:1419:14, 19 October 2023 diff hist 0 m Blocked-Davidson algorithm Vaspmaster moved page Construction:Blocked-Davidson algorithm to Blocked-Davidson algorithm without leaving a redirect
- 19:1419:14, 19 October 2023 diff hist +10 Self-consistency cycle No edit summary
- 19:1319:13, 19 October 2023 diff hist +76 Blocked-Davidson algorithm No edit summary
- 19:0419:04, 19 October 2023 diff hist +62 Blocked-Davidson algorithm No edit summary
- 19:0319:03, 19 October 2023 diff hist +23 Blocked-Davidson algorithm No edit summary
- 19:0319:03, 19 October 2023 diff hist −43 Blocked-Davidson algorithm No edit summary
- 18:3118:31, 19 October 2023 diff hist −4 Blocked-Davidson algorithm No edit summary
- 18:3018:30, 19 October 2023 diff hist +77 Blocked-Davidson algorithm No edit summary
- 18:0318:03, 19 October 2023 diff hist +44 Blocked-Davidson algorithm No edit summary
- 17:5617:56, 19 October 2023 diff hist +2,356 N Blocked-Davidson algorithm Created page with "The workflow of the blocked-Davidson iterative matrix diagonalization scheme implemented in {{VASP}} is as follows: * Take a subset (block) of <math>n_1</math> orbitals out..."
- 15:2915:29, 19 October 2023 diff hist 0 Category:Electronic minimization No edit summary
- 15:2815:28, 19 October 2023 diff hist −22 Category:Electronic minimization No edit summary
- 15:1915:19, 19 October 2023 diff hist −1 Self-consistency cycle No edit summary
- 15:1715:17, 19 October 2023 diff hist 0 m Self-consistency cycle Vaspmaster moved page Construction:Self-consistency cycle to Self-consistency cycle without leaving a redirect
- 15:1615:16, 19 October 2023 diff hist +55 Self-consistency cycle No edit summary
- 15:1015:10, 19 October 2023 diff hist +299 Self-consistency cycle No edit summary
- 14:5514:55, 19 October 2023 diff hist +4 Self-consistency cycle No edit summary
- 14:5314:53, 19 October 2023 diff hist +17 Self-consistency cycle No edit summary
- 14:5214:52, 19 October 2023 diff hist +17 Self-consistency cycle No edit summary
- 14:5014:50, 19 October 2023 diff hist 0 Self-consistency cycle No edit summary
- 14:4414:44, 19 October 2023 diff hist −64 Category:Electronic minimization No edit summary
- 14:4314:43, 19 October 2023 diff hist −65 Self-consistency cycle No edit summary
- 14:4114:41, 19 October 2023 diff hist +10 Self-consistency cycle No edit summary
- 14:3214:32, 19 October 2023 diff hist +1 Self-consistency cycle No edit summary
- 14:3014:30, 19 October 2023 diff hist +65 Self-consistency cycle No edit summary
- 14:2814:28, 19 October 2023 diff hist 0 N File:SCC.png No edit summary
- 12:3612:36, 19 October 2023 diff hist 0 m Self-consistency cycle Vaspmaster moved page Construction:Self-Consistency Cycle to Construction:Self-consistency cycle without leaving a redirect
- 12:3212:32, 19 October 2023 diff hist 0 Direct optimization of the orbitals No edit summary current
- 12:2812:28, 19 October 2023 diff hist +36 Category:Electronic minimization No edit summary
- 12:2712:27, 19 October 2023 diff hist 0 m Direct optimization of the orbitals Vaspmaster moved page Construction:Direct optimisation of the orbitals to Direct optimization of the orbitals without leaving a redirect
- 11:5111:51, 19 October 2023 diff hist +24 Direct optimization of the orbitals No edit summary
- 11:5011:50, 19 October 2023 diff hist +1 Direct optimization of the orbitals No edit summary
- 11:4611:46, 19 October 2023 diff hist +19 Direct optimization of the orbitals No edit summary
- 11:4411:44, 19 October 2023 diff hist +34 Direct optimization of the orbitals No edit summary
- 11:4211:42, 19 October 2023 diff hist +1 Direct optimization of the orbitals No edit summary
- 11:4211:42, 19 October 2023 diff hist +57 Direct optimization of the orbitals No edit summary
- 11:4111:41, 19 October 2023 diff hist +17 Direct optimization of the orbitals No edit summary
- 11:3811:38, 19 October 2023 diff hist +137 Direct optimization of the orbitals No edit summary
- 11:3411:34, 19 October 2023 diff hist +71 Self-consistency cycle No edit summary
- 11:3111:31, 19 October 2023 diff hist +12 Direct optimization of the orbitals No edit summary
- 11:2911:29, 19 October 2023 diff hist +283 Direct optimization of the orbitals No edit summary
- 11:1711:17, 19 October 2023 diff hist +45 Direct optimization of the orbitals No edit summary
- 11:0611:06, 19 October 2023 diff hist +1,090 Direct optimization of the orbitals No edit summary
- 11:0011:00, 19 October 2023 diff hist −2 Template:Cite No edit summary
- 10:5810:58, 19 October 2023 diff hist +5 Template:Cite No edit summary
- 10:5810:58, 19 October 2023 diff hist +258 Template:Cite No edit summary
- 10:3310:33, 19 October 2023 diff hist +9 Category:Electronic minimization No edit summary
18 October 2023
- 13:4013:40, 18 October 2023 diff hist −7 Direct optimization of the orbitals No edit summary
- 13:3913:39, 18 October 2023 diff hist −90 Direct optimization of the orbitals No edit summary
- 13:3913:39, 18 October 2023 diff hist +499 Direct optimization of the orbitals No edit summary
- 13:2013:20, 18 October 2023 diff hist +150 Direct optimization of the orbitals No edit summary
- 13:1513:15, 18 October 2023 diff hist +9 Direct optimization of the orbitals No edit summary
- 13:1413:14, 18 October 2023 diff hist +38 Direct optimization of the orbitals No edit summary
- 12:5912:59, 18 October 2023 diff hist 0 Direct optimization of the orbitals No edit summary
- 12:5812:58, 18 October 2023 diff hist +1,761 Direct optimization of the orbitals No edit summary
- 08:1408:14, 18 October 2023 diff hist −4 Category:Electronic minimization No edit summary
- 08:1108:11, 18 October 2023 diff hist +6 Category:Electronic minimization No edit summary
- 08:0408:04, 18 October 2023 diff hist −8 Category:Electronic minimization No edit summary
17 October 2023
- 22:0422:04, 17 October 2023 diff hist −4 Self-consistency cycle No edit summary
- 20:2220:22, 17 October 2023 diff hist +265 Self-consistency cycle No edit summary
- 19:5819:58, 17 October 2023 diff hist 0 Self-consistency cycle No edit summary
- 19:4919:49, 17 October 2023 diff hist +6 Self-consistency cycle No edit summary
- 19:4819:48, 17 October 2023 diff hist +2,070 Self-consistency cycle No edit summary
- 19:3819:38, 17 October 2023 diff hist +3,222 N Self-consistency cycle Created page with "The following section discusses the minimization algorithms implemented in VASP. We generally have one outer loop in which the charge density is optimized, and one inner loop..."
- 19:3619:36, 17 October 2023 diff hist 0 N Direct optimization of the orbitals Created blank page
- 18:1518:15, 17 October 2023 diff hist +9 Category:Electronic minimization No edit summary
- 18:1318:13, 17 October 2023 diff hist +109 Category:Electronic minimization No edit summary
- 18:1018:10, 17 October 2023 diff hist 0 m Talk:Self-Consistency Cycle Vaspmaster moved page Talk:Algorithms used in VASP to calculate the electronic groundstate to Talk:Self-Consistency Cycle without leaving a redirect current
- 18:0918:09, 17 October 2023 diff hist 0 Category:Electronic minimization No edit summary
- 18:0718:07, 17 October 2023 diff hist +18 Category:Electronic minimization No edit summary
- 18:0218:02, 17 October 2023 diff hist +74 Category:Electronic minimization →The Self-Consistency Cycle
- 17:5517:55, 17 October 2023 diff hist +82 Category:Electronic minimization No edit summary
- 17:4917:49, 17 October 2023 diff hist 0 Category:Electronic minimization No edit summary
- 14:4914:49, 17 October 2023 diff hist +4 Category:Electronic minimization →Direct optimisation
- 11:5011:50, 17 October 2023 diff hist +10 Category:Electronic minimization No edit summary
- 11:4811:48, 17 October 2023 diff hist +876 Category:Electronic minimization No edit summary
- 10:0710:07, 17 October 2023 diff hist +239 Category:Electronic minimization No edit summary
- 09:5609:56, 17 October 2023 diff hist +1,789 Category:Electronic minimization No edit summary
- 09:2509:25, 17 October 2023 diff hist +442 Category:Electronic minimization No edit summary
11 September 2023
- 17:3417:34, 11 September 2023 diff hist +18 SAXIS No edit summary
30 August 2023
- 10:3510:35, 30 August 2023 diff hist +382 Makefile.include No edit summary
28 April 2023
- 09:4709:47, 28 April 2023 diff hist +11 Best practices for machine-learned force fields →Best practice training modes
- 09:3909:39, 28 April 2023 diff hist −14 Best practices for machine-learned force fields →Best practice training modes
27 April 2023
- 07:0607:06, 27 April 2023 diff hist −5 Best practices for machine-learned force fields No edit summary
17 April 2023
- 12:4412:44, 17 April 2023 diff hist +6 ML MODE No edit summary
14 April 2023
- 17:4917:49, 14 April 2023 diff hist +7 ML MODE No edit summary
- 17:4417:44, 14 April 2023 diff hist +212 ML MODE No edit summary
- 17:4017:40, 14 April 2023 diff hist −5 ML MODE No edit summary
- 17:3917:39, 14 April 2023 diff hist +22 ML MODE No edit summary
- 17:1817:18, 14 April 2023 diff hist +11 ML MODE No edit summary
- 17:0317:03, 14 April 2023 diff hist +3 ML MODE No edit summary
- 17:0217:02, 14 April 2023 diff hist +12 ML MODE No edit summary