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