User contributions for Mmars
26 May 2011
- 02:2802:28, 26 May 2011 diff hist +1 ISMEAR No edit summary
- 02:2802:28, 26 May 2011 diff hist +1 FERWE No edit summary
- 02:2802:28, 26 May 2011 diff hist +1 FERDO No edit summary
25 May 2011
- 17:4817:48, 25 May 2011 diff hist −8 NFREE No edit summary
- 17:4817:48, 25 May 2011 diff hist −8 SPRING No edit summary
- 17:2217:22, 25 May 2011 diff hist 0 FERDO →Related Tags and Sections
- 17:2217:22, 25 May 2011 diff hist −25 FERDO No edit summary
- 17:2117:21, 25 May 2011 diff hist +657 N FERDO Created page with '{{TAGDEF|FERDO|[real array]}} Description: {{TAG|FERDO}} sets the occupancies of the states in the down-spin channel for {{TAG|ISMEAR}}=-2 and {{TAG|ISPIN}}=2. ---- To set the o…'
- 17:1817:18, 25 May 2011 diff hist −20 ISMEAR No edit summary
- 17:1717:17, 25 May 2011 diff hist +245 FERWE No edit summary
- 17:1017:10, 25 May 2011 diff hist +50 ISMEAR No edit summary
- 16:5616:56, 25 May 2011 diff hist +475 N FERWE Created page with '{{TAGDEF|FERWE|[real array]}} Description: {{TAG|FERWE}} sets the occupancies of the states for {{TAG|ISMEAR}}=-2. ---- In case of spin-polarized calculations ({{TAG|ISPIN}}=2),…'
- 16:2216:22, 25 May 2011 diff hist +84 ISMEAR No edit summary
24 May 2011
- 14:0614:06, 24 May 2011 diff hist −1 SIGMA No edit summary
23 May 2011
- 20:2520:25, 23 May 2011 diff hist +205 N SIGMA Created page with '{{TAGDEF|SIGMA|[real]|0.2}} Description: {{TAG|SIGMA}} determines the width of the smearing in eV. ---- == Related Tags and Sections == {{TAG|ISMEAR}} ---- [[The_VASP_Manual|Con…'
- 16:5816:58, 23 May 2011 diff hist +743 ISMEAR No edit summary
- 16:5116:51, 23 May 2011 diff hist +7 ISMEAR No edit summary
- 16:4716:47, 23 May 2011 diff hist +2,554 ISMEAR No edit summary
- 16:3416:34, 23 May 2011 diff hist +167 ISMEAR No edit summary
- 16:2916:29, 23 May 2011 diff hist +484 ISMEAR No edit summary
- 16:1216:12, 23 May 2011 diff hist +1 ISMEAR No edit summary
- 16:1216:12, 23 May 2011 diff hist +710 ISMEAR No edit summary
- 01:2601:26, 23 May 2011 diff hist +30 ISMEAR No edit summary
22 May 2011
- 23:2023:20, 22 May 2011 diff hist +649 N ISMEAR Created page with '{{TAGDEF|ISMEAR|-5 {{!}} -4 {{!}} -3 {{!}} -2 {{!}} -1 {{!}} 0 {{!}} [integer]>0 |1}} Description: {{TAG|ISMEAR}} determines how the partial occupancies ''f''<sub>n'''k'''</sub>…'
7 April 2011
- 09:0909:09, 7 April 2011 diff hist −11 LWRITE MMN AMN No edit summary
6 April 2011
- 23:1423:14, 6 April 2011 diff hist +32 LWRITE MMN AMN No edit summary
- 23:1323:13, 6 April 2011 diff hist +393 LWRITE MMN AMN No edit summary
- 23:0923:09, 6 April 2011 diff hist +410 N LWRITE MMN AMN Created page with '{{TAGDEF|LWRITE_MMN_AMN|.TRUE. {{!}} .FALSE.}} {{DEF|LWRITE_MMN_AMN|.TRUE.|if {{TAG|LWANNIER90}}{{=}}.TRUE.|.FALSE.|otherwise}} Description: {{TAG|LWRITE_MMN_AMN}}=.TRUE. tells …'
- 22:5722:57, 6 April 2011 diff hist +757 LWANNIER90 RUN No edit summary
- 22:3222:32, 6 April 2011 diff hist +24 LWANNIER90 No edit summary
- 22:3122:31, 6 April 2011 diff hist +25 LWANNIER90 RUN No edit summary
- 22:2822:28, 6 April 2011 diff hist +382 N LWANNIER90 RUN Created page with '{{TAGDEF|LWANNIER90_RUN|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LWANNIER90_RUN}} runs <tt>wannier_setup</tt> (see {{TAG|LWANNIER90}}=.TRUE.) and subsequently executes …'
5 April 2011
- 14:2314:23, 5 April 2011 diff hist −22 LWANNIER90 No edit summary
- 14:1814:18, 5 April 2011 diff hist +166 LWANNIER90 No edit summary
- 14:1014:10, 5 April 2011 diff hist +16 LWANNIER90 No edit summary
- 14:0914:09, 5 April 2011 diff hist +200 LWANNIER90 No edit summary
- 14:0614:06, 5 April 2011 diff hist +2 LWANNIER90 No edit summary
- 11:3911:39, 5 April 2011 diff hist 0 LWANNIER90 No edit summary
- 11:3911:39, 5 April 2011 diff hist −35 LWANNIER90 No edit summary
- 11:3811:38, 5 April 2011 diff hist +7 LWANNIER90 No edit summary
- 11:3811:38, 5 April 2011 diff hist +35 LWANNIER90 No edit summary
- 11:3611:36, 5 April 2011 diff hist +1 LWANNIER90 No edit summary
- 11:3511:35, 5 April 2011 diff hist +2,124 LWANNIER90 No edit summary
- 10:5610:56, 5 April 2011 diff hist +449 LWANNIER90 No edit summary
- 10:4610:46, 5 April 2011 diff hist +116 LWANNIER90 No edit summary
- 10:4310:43, 5 April 2011 diff hist +160 LWANNIER90 No edit summary
- 10:4010:40, 5 April 2011 diff hist +290 LWANNIER90 No edit summary
- 10:3310:33, 5 April 2011 diff hist +39 N LWANNIER90 Created page with '{{TAGDEF|LWANNIER90|[logical]|.FALSE.}}'
29 March 2011
- 23:4523:45, 29 March 2011 diff hist +940 N EBREAK Created page with '{{TAGDEF|EBREAK|[real]|{{TAG|EDIFF}}/{{TAG|NBANDS}}/4}} Description: {{TAG|EBREAK}} specifies an absolute stopping criterion for the optimization of an eigenvalue. ---- The tags…'
- 23:4123:41, 29 March 2011 diff hist −16 DEPER →Related Tags and Sections
- 23:3923:39, 29 March 2011 diff hist +4 DEPER No edit summary
- 23:3823:38, 29 March 2011 diff hist +1,010 N DEPER Created page with '{{TAGDEF|DEPER|[real]|0.3}} Description: {{TAG|DEPER}} specifies a relative stopping criterion for optimization of an eigenvalue. ---- The tags {{TAG|DEPER}}, {{TAG|WEIMIN}}, an…'
- 23:3423:34, 29 March 2011 diff hist −21 WEIMIN No edit summary
- 23:3223:32, 29 March 2011 diff hist +884 WEIMIN No edit summary
- 23:2723:27, 29 March 2011 diff hist +354 N WEIMIN Created page with '{{TAGDEF|WEIMIN|[real]}} {{DEF|WEIMIN|0.001|for {{TAG|IBRION}}≥0|0|for {{TAG|IBRION}}{{=}}−1}} Description: {{TAG|WEIMIN}} specifies the maximum weight for a band to be…'
- 23:1823:18, 29 March 2011 diff hist −1 NSIM →Related Tags and Sections
- 23:1823:18, 29 March 2011 diff hist −1 NDAV No edit summary
- 23:1723:17, 29 March 2011 diff hist +251 N NDAV Created page with '{{TAGDEF|NDAV|[integer]|4}} Description: {{TAG|NDAV}} sets the maximum number of iterative steps per bands per RMM-DIIS step ({{TAG|IALGO}}=4X). ---- == Related Tags and Section…'
- 23:0823:08, 29 March 2011 diff hist +1 NSIM No edit summary
- 23:0823:08, 29 March 2011 diff hist +725 N NSIM Created page with '{{TAGDEF|NSIM|[integer]|4}} Description: {{TAG|NSIM}} sets the number of band that are optimized simultaneously by the RMM-DIIS algorithm. ---- The RMM-DIIS algorithm ({{TAG|IAL…'
- 22:5422:54, 29 March 2011 diff hist 0 NFREE No edit summary
- 22:5322:53, 29 March 2011 diff hist +18 NFREE No edit summary
- 22:5222:52, 29 March 2011 diff hist −7 NFREE No edit summary
- 22:5122:51, 29 March 2011 diff hist −8 NFREE No edit summary
- 22:4922:49, 29 March 2011 diff hist −1 SPRING No edit summary
- 22:4822:48, 29 March 2011 diff hist +2 NBLOCK No edit summary
- 22:4722:47, 29 March 2011 diff hist +10 KBLOCK No edit summary
- 22:4722:47, 29 March 2011 diff hist −4 NBLOCK No edit summary
- 22:4722:47, 29 March 2011 diff hist +4 NBLOCK →Related Tags and Sections
- 22:4522:45, 29 March 2011 diff hist −10 KBLOCK No edit summary
- 22:4522:45, 29 March 2011 diff hist −10 NBLOCK No edit summary
- 22:3122:31, 29 March 2011 diff hist +24 TEEND No edit summary
- 22:3022:30, 29 March 2011 diff hist 0 TEEND No edit summary
- 22:3022:30, 29 March 2011 diff hist +309 N TEEND Created page with '{{TAGDEF|TEEND|[real]|{{TAG|TEBEG}}}} Description: {{TAG|TEBEG}} sets the final temperature for an ab-initio molecular dynamics run ({{TAG|IBRION}}=0). ---- == Related Tags and …'
- 22:2122:21, 29 March 2011 diff hist +16 TEBEG No edit summary
- 22:1922:19, 29 March 2011 diff hist +1,360 N TEBEG Created page with '{{TAGDEF|TEBEG|[real]|0}} Description: {{TAG|TEBEG}} sets the start temperature for an ab-initio molecular dynamics run ({{TAG|IBRION}}=0). ---- If no initial velocities are sup…'
- 19:2819:28, 29 March 2011 diff hist +14 NOMEGAR No edit summary
- 19:2719:27, 29 March 2011 diff hist +3 NOMEGAR No edit summary
- 19:2619:26, 29 March 2011 diff hist +8 NOMEGAR No edit summary
- 19:0319:03, 29 March 2011 diff hist +5 SMASS No edit summary
- 19:0319:03, 29 March 2011 diff hist +1 SMASS No edit summary
- 19:0219:02, 29 March 2011 diff hist −65 SMASS No edit summary
- 19:0019:00, 29 March 2011 diff hist +52 SMASS →References
- 18:5618:56, 29 March 2011 diff hist +12 SMASS →References
- 18:5518:55, 29 March 2011 diff hist +1 SMASS No edit summary
- 18:5418:54, 29 March 2011 diff hist +2,551 SMASS No edit summary
28 March 2011
- 10:2610:26, 28 March 2011 diff hist +176 SMASS No edit summary
- 08:3608:36, 28 March 2011 diff hist +186 N SMASS Created page with '{{TAGDEF|SMASS|-3 {{!}} -2 {{!}} -1 {{!}} [real] ≥ 0|-3}} Description: ---- == Related Tags and Sections == ---- Contents Category:INCAR[[Category:Dy…'
27 March 2011
- 19:3419:34, 27 March 2011 diff hist −5 The VASP Manual No edit summary
- 19:3319:33, 27 March 2011 diff hist +1 The VASP Manual No edit summary
- 19:3319:33, 27 March 2011 diff hist +4 The VASP Manual No edit summary
- 19:3119:31, 27 March 2011 diff hist +3 The VASP Manual No edit summary
- 16:3916:39, 27 March 2011 diff hist +63 The VASP Manual →Output
- 16:3716:37, 27 March 2011 diff hist +16 The VASP Manual →Output
- 16:3416:34, 27 March 2011 diff hist +1 The VASP Manual No edit summary
- 16:3416:34, 27 March 2011 diff hist −46 The VASP Manual No edit summary
- 16:3416:34, 27 March 2011 diff hist −25 The VASP Manual No edit summary
- 16:1116:11, 27 March 2011 diff hist +40 The VASP Manual →Output
- 16:0716:07, 27 March 2011 diff hist −5 The VASP Manual →Howto's
- 16:0616:06, 27 March 2011 diff hist −6 The VASP Manual →Getting started