User contributions for Kresse

10 November 2021

• 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

3 November 2021

• 17:0417:04, 3 November 2021 diff hist +6‎ m NATURALO ‎No edit summary Tag: Visual edit
• 17:0317:03, 3 November 2021 diff hist +85‎ NATURALO ‎ NATURALO = 1 updated. Works properly for partial occupancies. Tag: Visual edit

18 October 2021

• 07:1207:12, 18 October 2021 diff hist +24‎ Band decomposed charge densities ‎No edit summary
• 07:1107:11, 18 October 2021 diff hist +775‎ Band decomposed charge densities ‎ comment on spin polarized calculations added Tag: Visual edit

23 August 2021

• 11:2511:25, 23 August 2021 diff hist +421‎ IBRION ‎ →‎{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).
• 11:1311:13, 23 August 2021 diff hist +22‎ IBRION ‎ →‎{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).
• 11:1111:11, 23 August 2021 diff hist +3‎ IBRION ‎ →‎{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).
• 11:0911:09, 23 August 2021 diff hist +2,662‎ IBRION ‎ →‎{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix, and phonon frequencies (perturbation theory).

16 June 2021

• 08:5908:59, 16 June 2021 diff hist +10‎ LUSE VDW ‎ →‎Related Tags and Sections
• 08:4008:40, 16 June 2021 diff hist +106‎ IVDW ‎No edit summary Tag: Visual edit: Switched
• 08:3808:38, 16 June 2021 diff hist +160‎ LUSE VDW ‎No edit summary Tag: Visual edit
• 08:3408:34, 16 June 2021 diff hist +189‎ LUSE VDW ‎No edit summary Tag: Visual edit
• 08:3108:31, 16 June 2021 diff hist −4‎ LUSE VDW ‎No edit summary Tag: Visual edit: Switched
• 08:3008:30, 16 June 2021 diff hist −1‎ LUSE VDW ‎No edit summary Tag: Visual edit
• 08:2808:28, 16 June 2021 diff hist +114‎ LUSE VDW ‎ rVV10 added Tag: Visual edit
• 08:2408:24, 16 June 2021 diff hist +33‎ LUSE VDW ‎No edit summary Tag: Visual edit: Switched
• 08:2108:21, 16 June 2021 diff hist +18‎ IVDW ‎ →‎Related Tags and Sections

7 June 2021

• 12:5312:53, 7 June 2021 diff hist +139‎ m EDIFF ‎No edit summary Tag: Visual edit