User contributions for Mmars
2 February 2011
- 16:3616:36, 2 February 2011 diff hist +1 HFSCREEN No edit summary
- 16:3516:35, 2 February 2011 diff hist +37 HFSCREEN No edit summary
- 16:3016:30, 2 February 2011 diff hist +283 HFSCREEN No edit summary
- 16:2916:29, 2 February 2011 diff hist +482 N HFSCREEN Created page with '{{TAGDEF|HFSCREEN|[real]|none}} Description: {{TAG|HFSCREEN}} specifies the range-separation parameter in [[hybrid_functionals#range_separated|range separated hybrid functionals…'
- 15:2815:28, 2 February 2011 diff hist +24 ROPT No edit summary
- 15:2715:27, 2 February 2011 diff hist +56 LHFCALC No edit summary
- 14:5114:51, 2 February 2011 diff hist +53 LREAL →References
- 14:4914:49, 2 February 2011 diff hist +53 IALGO →References
- 14:4914:49, 2 February 2011 diff hist +55 IALGO →References
- 14:4814:48, 2 February 2011 diff hist +47 IALGO →References
- 14:4414:44, 2 February 2011 diff hist +1 IALGO →References
- 14:4314:43, 2 February 2011 diff hist −2 IALGO →References
- 14:4314:43, 2 February 2011 diff hist +53 IALGO →References
- 14:4014:40, 2 February 2011 diff hist +57 ISTART No edit summary
- 00:0700:07, 2 February 2011 diff hist −2 LMAXFOCKAE No edit summary
- 00:0700:07, 2 February 2011 diff hist 0 LMAXFOCKAE No edit summary
- 00:0600:06, 2 February 2011 diff hist +3 LMAXFOCKAE No edit summary
- 00:0600:06, 2 February 2011 diff hist +9 LMAXFOCKAE No edit summary
- 00:0500:05, 2 February 2011 diff hist +1,264 N LMAXFOCKAE Created page with '{{TAGDEF|LMAXFOCKAE|[integer]|-1}} Description: {{TAG|LMAXFOCKAE}} sets the maximum angular quantum number ''l'' for the "accurate" augmentation of charge densities in Hartree-F…'
1 February 2011
- 21:5221:52, 1 February 2011 diff hist +20 LMAXFOCK →Related Tags and Sections
- 20:5920:59, 1 February 2011 diff hist 0 LMAXFOCK No edit summary
- 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