User contributions for Mmars
1 February 2011
- 20:1720:17, 1 February 2011 diff hist +59 LHFCALC No edit summary
- 20:1320:13, 1 February 2011 diff hist +1,246 LHFCALC No edit summary
- 20:0720:07, 1 February 2011 diff hist +92 IALGO →Direct optimization
- 20:0020:00, 1 February 2011 diff hist −1 LHFCALC No edit summary
- 20:0020:00, 1 February 2011 diff hist +278 N LHFCALC Created page with '{{TAGDEF|LHFCALC|.TRUE. [{{!}} .FALSE. |.FALSE.}} Description: {{TAG|LHFCALC}} specifies whether Hartree-Fock/DFT hybrid functional type calculations are performed. ---- == Rel…'
- 19:5719:57, 1 February 2011 diff hist +20 ALDAC No edit summary
- 19:5719:57, 1 February 2011 diff hist +20 AGGAC No edit summary
- 19:5619:56, 1 February 2011 diff hist +20 AGGAX No edit summary
- 19:5419:54, 1 February 2011 diff hist +20 AEXX No edit summary
- 17:0817:08, 1 February 2011 diff hist +1,363 N ALDAC Created page with '{{TAGDEF|ALDAC|[real]|1.0}} Description: {{TAG|ALDAC}} specifies the fraction of LDA correlation in a Hartree-Fock/DFT hybrid functional type calculation. ---- The sum of the fr…'
- 17:0717:07, 1 February 2011 diff hist +1,387 N AGGAC Created page with '{{TAGDEF|AGGAC|[real]|1.0}} Description: {{TAG|AGGAC}} specifies the fraction of gradient corrections to the correlation in a Hartree-Fock/DFT hybrid functional type calculation…'
- 17:0617:06, 1 February 2011 diff hist +1,397 N AGGAX Created page with '{{TAGDEF|AGGAX|[real]|1.0-{{TAG|AEXX}}}} Description: {{TAG|AGGAX}} specifies the fraction of gradient corrections to the exchange in a Hartree-Fock/DFT hybrid functional type c…'
- 17:0317:03, 1 February 2011 diff hist +17 AEXX No edit summary
- 17:0217:02, 1 February 2011 diff hist +148 AEXX No edit summary
- 16:5716:57, 1 February 2011 diff hist +907 AEXX No edit summary
- 16:5216:52, 1 February 2011 diff hist +345 N AEXX Created page with '{{TAGDEF|AEXX|[real]}} {{DEF|AEXX|0.25|if {{TAG|LHFCALC}}{{=}}.TRUE.|0|otherwise}} Description: {{TAG|AEXX}} specifies the fraction of exact exchange in a Hartree-Fock/DFT hybri…'
- 16:2116:21, 1 February 2011 diff hist +23 Talk:ROPT No edit summary current
- 16:2016:20, 1 February 2011 diff hist +113 N Talk:ROPT Created page with 'I left out the bit at the very bottom of: http://cms.mpi.univie.ac.at/vasp/vasp/LREAL_tag_and_ROPT_tag.html#3840'
- 16:1916:19, 1 February 2011 diff hist +396 ROPT No edit summary
- 16:1716:17, 1 February 2011 diff hist +7 LREAL No edit summary
- 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