User contributions for Vaspmaster

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...."

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

12:1312:13, 13 March 2024 diff hist +20‎ Changelog ‎ →‎IMPROVEMENT
11:5211:52, 13 March 2024 diff hist −15,835‎ Talk:Known issues ‎ Blanked the page Tag: Blanking
11:5011:50, 13 March 2024 diff hist +24‎ Changelog ‎ →‎IMPROVEMENT
11:4911:49, 13 March 2024 diff hist +35‎ Changelog ‎ →‎IMPROVEMENT
11:4511:45, 13 March 2024 diff hist +364‎ Known issues ‎No edit summary
11:4011:40, 13 March 2024 diff hist +4‎ Known issues ‎No edit summary
11:1911:19, 13 March 2024 diff hist −58‎ Known issues ‎No edit summary
11:1611:16, 13 March 2024 diff hist −11‎ Talk:Known issues ‎No edit summary
11:1511:15, 13 March 2024 diff hist −3‎ Talk:Known issues ‎No edit summary
11:1411:14, 13 March 2024 diff hist −41‎ Talk:Known issues ‎No edit summary
11:0911:09, 13 March 2024 diff hist 0‎ Talk:Known issues ‎No edit summary
10:5610:56, 13 March 2024 diff hist +15,890‎ N Talk:Known issues ‎ Created page with "Below we provide an '''incomplete''' list of known issues. Please mind the description to see whether the issue has been fixed. Color legend: Open Resolved Planned Obsolete {| class="sortable wikitable" |- ! style=width:5em | Version fixed !! style="text-align:center;"| Version first noticed !! Date !! Descri..."