User contributions for Mmars
29 January 2011
- 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