User contributions for Mmars
9 February 2011
- 15:3515:35, 9 February 2011 diff hist +2,401 N MAXMIX Created page with '{{TAGDEF|MAXMIX|[integer]|-45}} Description: {{TAG|MAXMIX}} specifies the maximum number steps stored in Broyden mixer ({{TAG|IMIX}}=4). ---- {{TAG|MAXMIX}} specifies the maximu…'
8 February 2011
- 16:4216:42, 8 February 2011 diff hist +1,084 AMIN No edit summary
- 16:3216:32, 8 February 2011 diff hist −28 AMIN No edit summary
- 16:3016:30, 8 February 2011 diff hist +363 N AMIN Created page with '{{TAGDEF|AMIN|[real]}} {{DEF|AMIN|0.4|if {{TAG|ISPIN}}{{=}}1|0.1|if {{TAG|ISPIN}}{{=}}2}} Description: {{TAG|AMIN}} ---- == Related Tags and Sections == {{TAG|IMIX}}, {{TAG|INIM…'
- 16:2416:24, 8 February 2011 diff hist +342 IMIX No edit summary
- 16:1516:15, 8 February 2011 diff hist +306 MIXPRE No edit summary
- 16:1416:14, 8 February 2011 diff hist +1,022 N WC Created page with '{{TAGDEF|WC|[real]|1000.}} Description: {{TAG|WC}} specifies the weight factor for each step in Broyden mixing scheme ({{TAG|IMIX}}=4). ---- *{{TAG|WC}}>0 :Set all weights ident…'
- 15:3115:31, 8 February 2011 diff hist +698 MIXPRE No edit summary
- 15:2615:26, 8 February 2011 diff hist +386 N MIXPRE Created page with '{{TAGDEF|MIXPRE|0 {{!}} 1 {{!}} 2 {{!}} 3|1}} Description: {{TAG|MIXPRE}} specifies the metric in the Broyden mixing scheme({{TAG|IMIX}}=4). ---- == Related Tags and Sections ==…'
- 15:2415:24, 8 February 2011 diff hist +53 Category:Magnetism No edit summary
- 15:1715:17, 8 February 2011 diff hist +90 Talk:ISPIN No edit summary current
- 15:0715:07, 8 February 2011 diff hist +100 N Category:Magnetism Created page with 'Tags and articles that deal with magnetism: spin-polarized calculations and non-collinear magnetism.'
- 14:5314:53, 8 February 2011 diff hist +1 INIMIX No edit summary
- 14:5314:53, 8 February 2011 diff hist −1 BMIX No edit summary
- 14:5314:53, 8 February 2011 diff hist +259 BMIX No edit summary
- 14:5214:52, 8 February 2011 diff hist +280 INIMIX No edit summary
- 14:4914:49, 8 February 2011 diff hist +160 N Talk:INIMIX Created page with 'I think the description of INIMIX=2 in the manual was incorrect. It says INIMIX=2 is equal to INIMIX=2 and AMIX=1, which should probably be INIMIX=0 and AMIX=1.' current
- 14:4714:47, 8 February 2011 diff hist +1,080 N INIMIX Created page with '{{TAGDEF|INIMIX|0 {{!}} 1 {{!}} 2|1}} Description: {{TAG|INIMIX}} determines the functional form of the initial mixing matrix in the Broyden scheme ({{TAG|IMIX}}=4). ---- The in…'
- 14:1314:13, 8 February 2011 diff hist +11 IMIX No edit summary
- 13:4013:40, 8 February 2011 diff hist +456 IMIX No edit summary
- 10:0510:05, 8 February 2011 diff hist +218 IMIX No edit summary
7 February 2011
- 17:4717:47, 7 February 2011 diff hist +2 IMIX No edit summary
- 17:4317:43, 7 February 2011 diff hist +52 IMIX No edit summary
- 17:4217:42, 7 February 2011 diff hist +467 IMIX No edit summary
- 17:3117:31, 7 February 2011 diff hist +842 IMIX No edit summary
- 17:1117:11, 7 February 2011 diff hist −24 IMIX No edit summary
- 17:1017:10, 7 February 2011 diff hist +181 N Talk:IMIX Created page with 'The third eq. in explanation of the Verlet algorith (in the Tschebycheff sec.) looks wrong (\rho_{N+1} on the RHS). It is a literal copy of what is in the VASP manual at the mome…' current
- 17:0817:08, 7 February 2011 diff hist +514 IMIX No edit summary
- 16:5816:58, 7 February 2011 diff hist +361 IMIX No edit summary
- 16:5016:50, 7 February 2011 diff hist +209 IMIX No edit summary
- 16:4716:47, 7 February 2011 diff hist +200 IMIX No edit summary
- 16:4516:45, 7 February 2011 diff hist +358 IMIX No edit summary
- 16:3816:38, 7 February 2011 diff hist +608 N IMIX Created page with '{{TAGDEF|IMIX|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4|4}} Description: {{TAG|IMIX}} specifies the type of mixing. ---- *{{TAG|IMIX}}=0 *{{TAG|IMIX}}=1 *{{TAG|IMIX}}=2 *{{TAG|IMIX}}=3 …'
- 16:3316:33, 7 February 2011 diff hist +594 N BMIX Created page with '{{TAGDEF|BMIX|[real]|1.0}} Description: {{TAG|BMIX}} sets the cutoff wave vector for Kerker mixing scheme<ref name="kerker:prb:81"/> ({{TAG|IMIX}}=1 and/or {{TAG|INIMIX}}=1). --…'
- 15:4815:48, 7 February 2011 diff hist +471 N AMIX Created page with '{{TAGDEF|AMIX|[real]}} {{DEF|AMIX|0.8|if {{TAG|ISPIN}}{{=}}1 and one uses US-PPs|0.4|if {{TAG|ISPIN}}{{=}}2 and one uses US-PPs|0.4|if one uses PAW datasets}} Description: {{TAG…'
4 February 2011
- 14:4014:40, 4 February 2011 diff hist +736 LMAXPAW No edit summary
- 13:3413:34, 4 February 2011 diff hist +400 N LMAXPAW Created page with '{{TAGDEF|LMAXPAW|[integer]|2''l''<sub> max</sub>, where ''l''<sub> max</sub> is the maximum angular quantum number of the PAW partial waves in the {{FILE|POTCAR}} file.}} Descri…'
- 13:1513:15, 4 February 2011 diff hist +116 N Category:Projector-augmented-wave method Created page with 'PAW control tags and articles that discuss the PAW method. ---- Contents PAW'
- 13:0613:06, 4 February 2011 diff hist +1,205 N ADDGRID Created page with '{{TAGDEF|ADDGRID|.TRUE. {{!}} .FALSE. |.FALSE.}} Description: {{TAG|ADDGRID}} determines whether an additional support grid is used for the evaluation of the augmentation charge…'
- 12:4912:49, 4 February 2011 diff hist +16 LMAXMIX No edit summary
- 12:2312:23, 4 February 2011 diff hist +53 GGA →References
- 12:2212:22, 4 February 2011 diff hist +53 GGA →References
- 12:2112:21, 4 February 2011 diff hist +86 GGA No edit summary
- 12:1912:19, 4 February 2011 diff hist −4 IALGO →References
- 12:1712:17, 4 February 2011 diff hist −1 LREAL →References
- 12:1712:17, 4 February 2011 diff hist −1 Vaspwiki standards →Related Tags and Sections
- 12:0212:02, 4 February 2011 diff hist +633 GGA No edit summary
- 11:4511:45, 4 February 2011 diff hist +679 GGA No edit summary
3 February 2011
- 18:0918:09, 3 February 2011 diff hist +463 N GGA Created page with '{{TAGDEF|GGA|PW {{!}} PB {{!}} LM {{!}} 91 {{!}} PE {{!}} RP {{!}} PS {{!}} AM| type of exchange-correlation in accordance with the {{FILE|POTCAR}} file}} Description: {{TAG|GGA…'
- 13:0513:05, 3 February 2011 diff hist +516 EDIFFG No edit summary