User contributions for Vaspmaster

13 November 2023

• 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
• 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