User contributions for Vaspmaster
30 August 2024
- 15:5915:59, 30 August 2024 diff hist 0 Known issues No edit summary
5 August 2024
- 15:1615:16, 5 August 2024 diff hist −778 Category talk:Electronic minimization No edit summary current Tag: Manual revert
16 July 2024
- 07:0807:08, 16 July 2024 diff hist +63 Charge sloshing No edit summary current
- 06:3906:39, 16 July 2024 diff hist +17 Category:Electronic minimization No edit summary current
15 July 2024
- 14:0014:00, 15 July 2024 diff hist +27 Charge sloshing No edit summary
- 13:5913:59, 15 July 2024 diff hist 0 Category:Density mixing No edit summary current
- 13:5613:56, 15 July 2024 diff hist +7 Category:Density mixing No edit summary
- 13:4313:43, 15 July 2024 diff hist +13 Charge sloshing No edit summary
- 12:0212:02, 15 July 2024 diff hist +49 Direct optimization of the orbitals No edit summary current
- 11:5911:59, 15 July 2024 diff hist +39 Category:Electronic minimization No edit summary
- 11:5611:56, 15 July 2024 diff hist −12 Known issues No edit summary
- 11:5211:52, 15 July 2024 diff hist +1 Known issues No edit summary
- 11:5011:50, 15 July 2024 diff hist 0 Known issues No edit summary
- 11:3811:38, 15 July 2024 diff hist −46 Direct optimization of the orbitals No edit summary
- 11:3411:34, 15 July 2024 diff hist −4 Direct optimization of the orbitals No edit summary
- 11:3311:33, 15 July 2024 diff hist +3 Direct optimization of the orbitals No edit summary
- 11:3211:32, 15 July 2024 diff hist +44 Direct optimization of the orbitals No edit summary
- 11:3211:32, 15 July 2024 diff hist −1 Direct optimization of the orbitals No edit summary
- 11:3111:31, 15 July 2024 diff hist +16 Direct optimization of the orbitals No edit summary
- 11:3011:30, 15 July 2024 diff hist +427 Direct optimization of the orbitals No edit summary
- 10:1910:19, 15 July 2024 diff hist +51 Category:Electronic minimization No edit summary
- 10:1810:18, 15 July 2024 diff hist +10 Category:Electronic minimization No edit summary Tag: Manual revert
- 10:1810:18, 15 July 2024 diff hist −10 Category:Electronic minimization No edit summary Tag: Reverted
- 10:1710:17, 15 July 2024 diff hist −10 Category:Electronic minimization No edit summary
- 10:1610:16, 15 July 2024 diff hist +49 Category:Electronic minimization No edit summary
- 10:1410:14, 15 July 2024 diff hist −9 Category:Electronic minimization No edit summary
- 10:1210:12, 15 July 2024 diff hist +731 Category:Electronic minimization No edit summary
- 10:0910:09, 15 July 2024 diff hist +696 Category talk:Electronic minimization No edit summary Tag: Reverted
- 09:5809:58, 15 July 2024 diff hist +42 Charge sloshing No edit summary
- 09:5609:56, 15 July 2024 diff hist +4 Charge sloshing No edit summary
- 09:5509:55, 15 July 2024 diff hist −24 Charge sloshing No edit summary
- 09:5409:54, 15 July 2024 diff hist +28 Charge sloshing No edit summary
- 09:5209:52, 15 July 2024 diff hist +4,253 N Charge sloshing Created page with "600px|thumb|Fig. 1: A handwaving illustration of charge sloshing. A very handwaving illustration of the phenomenon of charge sloshing during the electronic optimization is shown in Fig. 1: * Suppose we have a system with two chemically identical sites (Site 1 and 2), and suppose that in step ''N'' of the electronic optimization the situation is as follows: : At the beginning of iteration ''N'', Site 1 is occupied by 2 electrons, Site 2 is empty...."
12 July 2024
- 11:3811:38, 12 July 2024 diff hist 0 N File:Sloshing1.png No edit summary current
- 11:3211:32, 12 July 2024 diff hist −26 Template:Table - Output interval options No edit summary current
2 July 2024
- 18:2318:23, 2 July 2024 diff hist +36 MAGMOM No edit summary current
- 12:5612:56, 2 July 2024 diff hist +82 Category talk:Electronic minimization No edit summary Tag: Reverted
- 12:5212:52, 2 July 2024 diff hist +58 Category:Electronic minimization No edit summary
- 12:4612:46, 2 July 2024 diff hist −2 Category:Electronic minimization No edit summary
- 11:5611:56, 2 July 2024 diff hist −40 TIME No edit summary current
30 June 2024
- 12:3512:35, 30 June 2024 diff hist 0 IMIX →{{TAG|IMIX}}=4: Broyden's 2nd method and Pulay-mixing method (default) current
28 June 2024
- 10:4110:41, 28 June 2024 diff hist +226 N Talk:Direct optimization of the orbitals Created page with "* Add a sentence about incorporating the orthogonality constraints into the free energy functional (by Langrangian multipliers). The gradient mentioned on this page is not the gradient of the free energy, but of a Langrangian." current
25 June 2024
- 09:3109:31, 25 June 2024 diff hist −6 AMIN No edit summary current Tag: Visual edit: Switched
11 June 2024
- 13:0513:05, 11 June 2024 diff hist −88 Known issues No edit summary
10 June 2024
- 11:2911:29, 10 June 2024 diff hist 0 Construction:FMP ACTIVE No edit summary Tag: Reverted
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
3 April 2024
- 13:2913:29, 3 April 2024 diff hist +232 Known issues No edit summary