User contributions for Mmars
1 February 2011
- 16:1616:16, 1 February 2011 diff hist +2 ROPT No edit summary
- 16:1516:15, 1 February 2011 diff hist +1,549 ROPT No edit summary
- 15:4315:43, 1 February 2011 diff hist +70 ROPT No edit summary
- 15:3815:38, 1 February 2011 diff hist +962 ROPT No edit summary
- 15:2015:20, 1 February 2011 diff hist +1,054 LREAL No edit summary
- 15:1415:14, 1 February 2011 diff hist +13 ROPT →Related Tags and Sections
- 15:1315:13, 1 February 2011 diff hist −92 ROPT No edit summary
- 15:1015:10, 1 February 2011 diff hist +70 Template:DEF No edit summary current
- 15:0515:05, 1 February 2011 diff hist +1,320 N ROPT Created page with '{{TAGDEF|ROPT|[real array], one entry for each species on the {{FILE|POTCAR}} file}} {{DEF|ROPT|0.67|if {{TAG|LREAL}}{{=}}On and {{TAG|PREC}}{{=}}Low|1.0|if {{TAG|LREAL}}{{=}}On …'
- 14:0814:08, 1 February 2011 diff hist −8 LREAL No edit summary
- 14:0514:05, 1 February 2011 diff hist +924 LREAL No edit summary
- 13:4113:41, 1 February 2011 diff hist +1 LREAL No edit summary
- 13:4013:40, 1 February 2011 diff hist +226 LREAL No edit summary
- 13:3613:36, 1 February 2011 diff hist +1,575 LREAL No edit summary
- 13:2213:22, 1 February 2011 diff hist +26 LREAL →Related Tags and Sections
- 13:1013:10, 1 February 2011 diff hist +819 LREAL No edit summary
- 13:0713:07, 1 February 2011 diff hist +55 PREC →Intro
- 13:0513:05, 1 February 2011 diff hist +25 LREAL No edit summary
- 13:0013:00, 1 February 2011 diff hist +492 LREAL No edit summary
- 12:4812:48, 1 February 2011 diff hist +1 LREAL No edit summary
- 12:4812:48, 1 February 2011 diff hist +312 LREAL No edit summary
- 12:3912:39, 1 February 2011 diff hist +21 LREAL No edit summary
- 12:3412:34, 1 February 2011 diff hist +390 LREAL No edit summary
- 12:2812:28, 1 February 2011 diff hist +296 N LREAL Created page with '{{TAGDEF|LREAL|.TRUE. {{!}} .FALSE. {{!}} On (or O) {{!}} Auto (or A)|.FALSE.}} Description: {{TAG|LREAL}} determines whether the projection operators are evaluated in real-spac…'
- 11:5511:55, 1 February 2011 diff hist +122 N Talk:NELECT Created page with 'The remarks about the homogeneous LDA electron gas: is this really all? Doesn't one need some special POTCAR file as well?' current
- 11:5511:55, 1 February 2011 diff hist +691 N NELECT Created page with '{{TAGDEF|NELECT|[real]|number of valence electrons}} Description: {{TAG|NELECT}} sets the number of electrons. ---- Usually you should not set this line. The number of electrons…'
- 11:0111:01, 1 February 2011 diff hist +45 N Talk:NBANDS Created page with 'NIONS and NMAG should be defined in the text.' current
- 10:3210:32, 1 February 2011 diff hist +1,609 N NBANDS Created page with '{{TAGDEF|NBANDS|[integer]}} {{DEF|NBANDS|{{TAG|NELECT}}/2+NIONS/2|non-spinpolarized|0.6*{{TAG|NELECT}}+NMAG|spinpolarized}} Description: {{TAG|NBANDS}} determines the actual num…'
31 January 2011
- 17:1817:18, 31 January 2011 diff hist +14 IALGO →Related Tags and Sections
- 17:1617:16, 31 January 2011 diff hist +102 Talk:IALGO No edit summary current
- 16:4916:49, 31 January 2011 diff hist −100 IALGO →References
- 16:4716:47, 31 January 2011 diff hist +1,656 IALGO →Direct optimization
- 16:4316:43, 31 January 2011 diff hist +68 Talk:IALGO No edit summary
- 16:4216:42, 31 January 2011 diff hist +254 IALGO No edit summary
- 16:3816:38, 31 January 2011 diff hist +1,101 IALGO →Direct optimization
- 16:2516:25, 31 January 2011 diff hist −16 IALGO →Direct optimization of the orbitals
- 16:2416:24, 31 January 2011 diff hist +2 IALGO →Direct optimization of the orbitals
- 16:2316:23, 31 January 2011 diff hist +2 IALGO →Direct optimization of the orbitals
- 16:2216:22, 31 January 2011 diff hist +875 IALGO No edit summary
- 15:3215:32, 31 January 2011 diff hist +14 IALGO →Related Tags and Sections
- 15:2515:25, 31 January 2011 diff hist −1 IALGO →Conjugate gradient algorithms
- 15:2515:25, 31 January 2011 diff hist −34 IALGO No edit summary
- 15:2315:23, 31 January 2011 diff hist +685 IALGO →Conjugate gradient algorithms
- 14:3814:38, 31 January 2011 diff hist +1,212 IALGO →Miscellaneous
- 14:3114:31, 31 January 2011 diff hist +152 IALGO No edit summary
- 14:1714:17, 31 January 2011 diff hist +128 IALGO No edit summary
- 14:1214:12, 31 January 2011 diff hist +4,968 IALGO No edit summary
- 13:5713:57, 31 January 2011 diff hist −1 Talk:IALGO No edit summary
- 13:5713:57, 31 January 2011 diff hist +2 Talk:IALGO No edit summary
- 13:5713:57, 31 January 2011 diff hist +189 Talk:IALGO No edit summary
- 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}}'
29 January 2011
- 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-…'
28 January 2011
- 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