User contributions for Mmars

20:5820:58, 1 February 2011 diff hist +1,183‎ N LMAXFOCK ‎ Created page with '{{TAGDEF|LMAXFCOK|[integer]|4}} Description: {{TAG|LMAXFOCK}} sets the maximum angular momentum quantum number ''l'' for the augmentation of charge densities in Hartree-Fock typ…'
20:4020:40, 1 February 2011 diff hist +64‎ N Category:VASP ‎ Created page with 'This is the top-level category ---- Contents' current
20:3420:34, 1 February 2011 diff hist +289‎ N TIME ‎ Created page with '{{TAGDEF|TIME|[real]|0.4}} Description: {{TAG|TIME}} controls the time step for {{TAG|IALGO}}=5X and for the initial (steepest descent) phase of {{TAG|IALGO}}=4X. ---- == Relate…'
20:2920:29, 1 February 2011 diff hist 0‎ LHFCALC ‎No edit summary
20:2820:28, 1 February 2011 diff hist +1‎ LHFCALC ‎No edit summary
20:2720:27, 1 February 2011 diff hist +311‎ LHFCALC ‎No edit summary
20:2320:23, 1 February 2011 diff hist +59‎ LHFCALC ‎No edit summary
20:2120:21, 1 February 2011 diff hist +115‎ LHFCALC ‎No edit summary
20:1720:17, 1 February 2011 diff hist 0‎ LHFCALC ‎No edit summary
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

1 February 2011