User contributions for Vaspmaster

19 October 2023

• 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
• 16:5816:58, 14 April 2023 diff hist +1‎ ML MODE ‎No edit summary
• 16:5716:57, 14 April 2023 diff hist −13‎ ML MODE ‎No edit summary
• 16:5216:52, 14 April 2023 diff hist +1‎ ML MODE ‎No edit summary
• 16:5116:51, 14 April 2023 diff hist −4‎ ML MODE ‎No edit summary