User contributions for Mmars

13:4713:47, 31 January 2011 diff hist +909‎ IALGO ‎No edit summary
13:3913:39, 31 January 2011 diff hist 0‎ IALGO ‎No edit summary
13:3613:36, 31 January 2011 diff hist +2‎ IALGO ‎No edit summary
13:3613:36, 31 January 2011 diff hist +50‎ N Talk:IALGO ‎ Created page with 'We should add a reference to the Kosugi algorithm.'
13:0813:08, 31 January 2011 diff hist +512‎ IALGO ‎No edit summary
13:0513:05, 31 January 2011 diff hist +288‎ IALGO ‎No edit summary
13:0013:00, 31 January 2011 diff hist +960‎ IALGO ‎No edit summary
12:3612:36, 31 January 2011 diff hist +10‎ NELMIN ‎No edit summary
12:3612:36, 31 January 2011 diff hist +15‎ NELMIN ‎No edit summary
12:3512:35, 31 January 2011 diff hist +15‎ NELMDL ‎No edit summary
12:3512:35, 31 January 2011 diff hist +220‎ N IALGO ‎ Created page with '{{TAGDEF|IALGO|8 {{!}} 38 {{!}} 48}} {{DEF|IALGO|8|for VASP.4.4 and older|38|else (if {{TAG|ALGO}} is not set)}} Description: ---- == Related Tags and Sections == ---- [[The_…'
12:3012:30, 31 January 2011 diff hist +52‎ N Talk:ALGO ‎ Created page with 'GW, ACFDT, and MP2 are still missing in the section.' current
12:2712:27, 31 January 2011 diff hist −36‎ NELMIN ‎No edit summary
12:2512:25, 31 January 2011 diff hist +44‎ NELMIN ‎ →‎Related Tags and Sections
12:2312:23, 31 January 2011 diff hist +39‎ NELMIN ‎No edit summary
12:2212:22, 31 January 2011 diff hist +371‎ N NELMIN ‎ Created page with '{{TAGDEF|NELMIN|2}} Description: specifies the minimum number of electronic SC steps. ---- Generally you do not need to change this setting. In some cases (for instance MD's, o…'
10:3610:36, 31 January 2011 diff hist +933‎ NELMDL ‎No edit summary
10:2610:26, 31 January 2011 diff hist +106‎ NELMDL ‎No edit summary
10:2510:25, 31 January 2011 diff hist +168‎ N NELMDL ‎ Created page with '{{TAGDEF|NELMDL|[integer]}} {{DEF|NELMDL|-5|if {{TAG|ISTART}}=0, {{TAG|INIWAV}}=1, and {{TAG|IALGO}}=8|-12|if {{TAG|ISTART}}=0, {{TAG|INIWAV}}=1, and {{TAG|IALGO}}=48}}'

20:0920:09, 29 January 2011 diff hist +49‎ EDIFF ‎No edit summary
20:0420:04, 29 January 2011 diff hist +65‎ NELM ‎No edit summary
20:0020:00, 29 January 2011 diff hist +143‎ N Talk:NELM ‎ Created page with 'The "mixing parameters" should be a link to a section on mixing. Probably each tag should contain a little "related tags and sections" section.' current
19:5719:57, 29 January 2011 diff hist +8‎ LMAXMIX ‎No edit summary
19:5419:54, 29 January 2011 diff hist +122‎ N Talk:LVTOT ‎ Created page with 'In the manual there is a bit of discussion concerning core level shifts in the LVTOT section. What should we do with this?' current
19:5319:53, 29 January 2011 diff hist +201‎ N LVTOT ‎ Created page with '{{TAGDEF|LVTOT|[logical]|.FALSE.}} Description: {{TAG|LVTOT}} determines whether the total local potential is written to the {{FILE|LOCPOT}} file. ---- [[The_VASP_Manual|Content…'
19:4819:48, 29 January 2011 diff hist +7‎ LMAXMIX ‎No edit summary
19:4719:47, 29 January 2011 diff hist +1,262‎ N LMAXMIX ‎ Created page with '{{TAGDEF|LMAXMIX|[integer]|2}} Description: {{TAG|LMAXMIX}} controls up to which ''l''-quantum number the one-center PAW charge densities are passed through the charge density m…'
17:3417:34, 29 January 2011 diff hist −39‎ ALGO ‎No edit summary
17:3317:33, 29 January 2011 diff hist +1,713‎ ALGO ‎No edit summary
17:1917:19, 29 January 2011 diff hist −13‎ NSW ‎No edit summary
17:1817:18, 29 January 2011 diff hist −15‎ EDIFF ‎No edit summary
17:1717:17, 29 January 2011 diff hist −14‎ NELM ‎No edit summary
17:1717:17, 29 January 2011 diff hist +220‎ N ALGO ‎ Created page with '{{TAGDEF|ALGO|Normal {{!}} VeryFast {{!}} Fast {{!}} Conjugate {{!}} All {{!}} Damped {{!}} Subrot {{!}} Eigenval {{!}} None {{!}} Nothing|Normal}} Description: ---- ---- [[The_…'
17:0817:08, 29 January 2011 diff hist +727‎ N EDIFF ‎ Created page with '{{TAGDEF|EDIFF|[real]}} {{DEF|EDIFF|<math>10^{-4}</math>|}} Description: {{TAG|EDIFF}} specifies the global break condition for the electronic SC-loop. ---- The relaxation of th…'
17:0217:02, 29 January 2011 diff hist +491‎ N NELM ‎ Created page with '{{TAGDEF|NELM|[integer]}} {{DEF|NELM|60|}} Description: {{TAG|NELM}} sets the maximum number of electronic SC (selfconsistency) steps which may be performed. ---- Normally, ther…'
16:5816:58, 29 January 2011 diff hist +399‎ N NSW ‎ Created page with '{{TAGDEF|NSW|[integer]}} {{DEF|NSW|0|}} Description: {{TAG|NSW}} sets the maximum number of ionic steps. ---- '''Mind''': Within each ionic step at most {{TAG|NELM}} electronic-…'

17:0617:06, 28 January 2011 diff hist +18‎ INIWAV ‎No edit summary
17:0617:06, 28 January 2011 diff hist +842‎ N INIWAV ‎ Created page with '{{TAGDEF|INIWAV|0 {{!}} 1}} {{DEF|INIWAV|1|}} Description: {{TAG|INIWAV}} specifies how to set up the initial orbitals in case {{TAG|ISTART}}=0. ---- *{{TAG|INIWAV}}=0 :Take 'je…'
16:5516:55, 28 January 2011 diff hist +18‎ ISTART ‎No edit summary
16:4716:47, 28 January 2011 diff hist +7‎ ISTART ‎No edit summary
16:4616:46, 28 January 2011 diff hist +2,622‎ ISTART ‎No edit summary
16:1916:19, 28 January 2011 diff hist +15‎ ISTART ‎No edit summary
16:1716:17, 28 January 2011 diff hist −3‎ ISTART ‎No edit summary
16:1716:17, 28 January 2011 diff hist +473‎ ISTART ‎No edit summary
16:0916:09, 28 January 2011 diff hist +690‎ ISTART ‎No edit summary
15:5915:59, 28 January 2011 diff hist +77‎ ISTART ‎No edit summary
15:5715:57, 28 January 2011 diff hist +97‎ ISTART ‎No edit summary
15:5415:54, 28 January 2011 diff hist +51‎ ISTART ‎No edit summary
15:5215:52, 28 January 2011 diff hist +90‎ N ISTART ‎ Created page with '{{TAGDEF|ISTART|0 {{!}} 1 {{!}} 2}} ---- Contents Category:INCAR'
14:5814:58, 28 January 2011 diff hist −15‎ ICHARG ‎No edit summary

31 January 2011

29 January 2011

28 January 2011