User contributions for Kresse
12 January 2022
- 07:1307:13, 12 January 2022 diff hist +100 LTRIPLET Small corrections, and comment on LTRIPLET added for spin orbit coupling.
11 January 2022
- 14:5814:58, 11 January 2022 diff hist −70 LTRIPLET No edit summary
- 14:5014:50, 11 January 2022 diff hist +1,469 LTRIPLET Extended
- 11:5111:51, 11 January 2022 diff hist +1 ML MCONF NEW →Related Tags and Sections
13 December 2021
- 09:3109:31, 13 December 2021 diff hist +57 m POTCAR No edit summary Tag: Visual edit
- 09:3009:30, 13 December 2021 diff hist +250 POTCAR Comment on modification of LEXCH Tag: Visual edit
1 December 2021
- 14:1714:17, 1 December 2021 diff hist +122 m NBLOCK No edit summary Tag: Visual edit
- 08:4108:41, 1 December 2021 diff hist +141 NBLOCK ML recommendation to set NBLOCK to 10 Tag: Visual edit
23 November 2021
- 17:2417:24, 23 November 2021 diff hist +13 m NCORE No edit summary Tag: Visual edit
- 11:5111:51, 23 November 2021 diff hist +24 m ML CX No edit summary Tag: Visual edit
- 11:5011:50, 23 November 2021 diff hist +368 ML CX Suggestions for constant temperature training added. Tag: Visual edit
17 November 2021
- 16:0616:06, 17 November 2021 diff hist +9 ML MHIS No edit summary
12 November 2021
- 09:4609:46, 12 November 2021 diff hist +113 ENCUTGWSOFT No edit summary
10 November 2021
- 11:2411:24, 10 November 2021 diff hist −35 m ALGO No edit summary
- 11:2311:23, 10 November 2021 diff hist −1 ALGO No edit summary
- 11:2311:23, 10 November 2021 diff hist −1 ALGO No edit summary
- 11:2211:22, 10 November 2021 diff hist +1 ALGO →Related Tags and Sections
- 11:2211:22, 10 November 2021 diff hist +62 ALGO No edit summary
- 11:2111:21, 10 November 2021 diff hist +23 ALGO No edit summary
- 11:2011:20, 10 November 2021 diff hist +56 ALGO No edit summary
- 11:1911:19, 10 November 2021 diff hist −2 IALGO No edit summary
- 11:1611:16, 10 November 2021 diff hist −2 m ALGO No edit summary
- 11:1411:14, 10 November 2021 diff hist +2 m LDIAG No edit summary
- 08:1608:16, 10 November 2021 diff hist −1 ALGO No edit summary
- 08:1608:16, 10 November 2021 diff hist +306 ALGO No edit summary
- 08:1108:11, 10 November 2021 diff hist +14 ISMEAR No edit summary Tag: Visual edit: Switched
- 08:0908:09, 10 November 2021 diff hist +713 ISMEAR No edit summary
- 08:0008:00, 10 November 2021 diff hist +2 IALGO →Direct optimization
- 08:0008:00, 10 November 2021 diff hist +2 IALGO →RMM-DIIS
- 07:5807:58, 10 November 2021 diff hist +61 IALGO →Conjugate gradient algorithms
- 07:5407:54, 10 November 2021 diff hist −2 IALGO →Direct optimization
- 07:5407:54, 10 November 2021 diff hist +165 IALGO →Direct optimization
- 07:5007:50, 10 November 2021 diff hist +1 IALGO →RMM-DIIS
- 07:5007:50, 10 November 2021 diff hist +162 IALGO →RMM-DIIS
- 07:4607:46, 10 November 2021 diff hist +171 IALGO No edit summary Tag: Visual edit: Switched
- 07:3907:39, 10 November 2021 diff hist +2 LDIAG No edit summary Tag: Visual edit
- 07:2907:29, 10 November 2021 diff hist −17 LDIAG No edit summary Tag: Visual edit
- 07:2207:22, 10 November 2021 diff hist +295 LDIAG No edit summary Tag: Visual edit
- 07:1607:16, 10 November 2021 diff hist +70 LDIAG Added more extensive explanation Tag: Visual edit
- 07:1107:11, 10 November 2021 diff hist +72 LDIAG No edit summary
- 07:1007:10, 10 November 2021 diff hist +391 LDIAG No edit summary
- 07:0207:02, 10 November 2021 diff hist +1,067 LDIAG No edit summary
- 06:4306:43, 10 November 2021 diff hist +337 LDIAG No edit summary
8 November 2021
- 09:3609:36, 8 November 2021 diff hist +16 IALGO →Related Tags and Sections
5 November 2021
- 07:3207:32, 5 November 2021 diff hist +35 ML RCUT2 →Related Tags and Sections
- 07:3207:32, 5 November 2021 diff hist 0 ML RCUT1 →Related Tags and Sections
- 07:3107:31, 5 November 2021 diff hist +34 ML RCUT1 →Related Tags and Sections
4 November 2021
- 11:3611:36, 4 November 2021 diff hist +305 ML CX No edit summary Tag: Visual edit
- 11:3311:33, 4 November 2021 diff hist +100 ML CX No edit summary Tag: Visual edit
- 11:3011:30, 4 November 2021 diff hist −144 ML CX No edit summary Tag: Visual edit