User contributions for Mmars
26 March 2011
- 16:5216:52, 26 March 2011 diff hist +21 NFREE No edit summary
- 16:5116:51, 26 March 2011 diff hist +21 POTIM No edit summary
- 16:5016:50, 26 March 2011 diff hist +21 NSW No edit summary
- 16:5016:50, 26 March 2011 diff hist +136 N Category:Molecular Dynamics Created page with 'All tags and articles related to ionic relaxation and molecular dynamics. ---- Contents Dynamics'
- 16:4616:46, 26 March 2011 diff hist +1 IBRION →References
- 16:4516:45, 26 March 2011 diff hist +105 IBRION →References
- 16:2416:24, 26 March 2011 diff hist +42 IBRION →{{TAG|IBRION}}=5 and 6: second derivatives, Hessian matrix and phonon frequencies (finite differences).
- 16:2216:22, 26 March 2011 diff hist +188 IBRION →References
- 16:1816:18, 26 March 2011 diff hist −26 IBRION No edit summary
- 16:1616:16, 26 March 2011 diff hist +79 IBRION No edit summary
- 16:1216:12, 26 March 2011 diff hist +78 Talk:IBRION No edit summary current
- 16:1016:10, 26 March 2011 diff hist −2 IBRION →{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix and phonon frequencies (perturbation theory).
- 16:0716:07, 26 March 2011 diff hist +43 IBRION No edit summary
- 16:0316:03, 26 March 2011 diff hist +609 IBRION →{{TAG|IBRION}}=7 and 8: second derivatives, Hessian matrix and phonon frequencies (perturbation theory).
- 15:5915:59, 26 March 2011 diff hist +4,643 IBRION No edit summary
- 14:2914:29, 26 March 2011 diff hist +1 IBRION →References
- 14:2914:29, 26 March 2011 diff hist +4 IBRION →References
- 14:2814:28, 26 March 2011 diff hist +1,897 IBRION No edit summary
- 13:5313:53, 26 March 2011 diff hist +190 IBRION No edit summary
- 13:0713:07, 26 March 2011 diff hist +4 IBRION No edit summary
- 13:0613:06, 26 March 2011 diff hist −2 IBRION No edit summary
- 12:4712:47, 26 March 2011 diff hist +8 IBRION No edit summary
- 12:4612:46, 26 March 2011 diff hist +1 IBRION No edit summary
- 12:4612:46, 26 March 2011 diff hist +2,846 IBRION No edit summary
- 12:3312:33, 26 March 2011 diff hist +187 N Talk:IBRION Created page with 'Is this still and issue: "...(or fourth-order predictor-corrector if VASP was linked with stepprecor.o)."? Maybe for vasp.4.X.X, the stepprecor.F file is not part of vasp.5.2.X a…'
- 12:3112:31, 26 March 2011 diff hist +661 IBRION No edit summary
- 12:0312:03, 26 March 2011 diff hist +1,620 N IBRION Created page with '{{TAGDEF|IBRION|-1 {{!}} 0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 5 {{!}} 6 {{!}} 7 {{!}} 8 {{!}} 44}} {{DEF|IBRION|-1|for {{TAG|NSW}}{{=}}−1 or 0|0|else}} Description: {{TAG|IBRIO…'
25 March 2011
- 13:4313:43, 25 March 2011 diff hist +32 ENAUG No edit summary
- 13:3813:38, 25 March 2011 diff hist +191 ENAUG No edit summary
- 13:2713:27, 25 March 2011 diff hist +2 ENAUG No edit summary
- 13:2513:25, 25 March 2011 diff hist +270 N ENAUG Created page with '{{TAGDEF|ENAUG|[real]|set in accordance with ENCUT and PREC}} Description: ---- == Related Tags and Sections == {{TAG|NGXF}}, {{TAG|NGYF}}, {{TAG|NGZF}}, {{TAG|E…'
- 13:0913:09, 25 March 2011 diff hist +6 RWIGS →Related Tags and Sections
- 13:0813:08, 25 March 2011 diff hist −10 RWIGS No edit summary
- 12:4212:42, 25 March 2011 diff hist +90 The VASP Manual →About this manual
- 12:3212:32, 25 March 2011 diff hist −4 The VASP Manual →Howto's
- 12:2912:29, 25 March 2011 diff hist −37 INCAR No edit summary
- 12:2512:25, 25 March 2011 diff hist +421 INCAR No edit summary
- 12:0912:09, 25 March 2011 diff hist +4 Category:INCAR No edit summary
21 March 2011
- 10:0910:09, 21 March 2011 diff hist −86 EFIELD PEAD No edit summary
- 10:0810:08, 21 March 2011 diff hist +1 LCALCPOL No edit summary
20 March 2011
- 18:3118:31, 20 March 2011 diff hist +4 IPEAD No edit summary
- 18:0918:09, 20 March 2011 diff hist +146 IPEAD No edit summary
- 18:0218:02, 20 March 2011 diff hist +263 IPEAD No edit summary
- 17:5317:53, 20 March 2011 diff hist +24 LPEAD →Related Tags and Sections
- 17:5217:52, 20 March 2011 diff hist −15 IPEAD →Related Tags and Sections
- 17:5217:52, 20 March 2011 diff hist +327 N IPEAD Created page with '{{TAGDEF|IPEAD|1 {{!}} 2 {{!}} 3 {{!}} 4|4}} Description: ---- == Related Tags and Sections == {{TAG|LPEAD}}, {{TAG|LCALCEPS}}, {{TAG|EFIELD_PEAD}}, {{TAG|IPEAD}}, [[Berry_phase…'
- 17:4517:45, 20 March 2011 diff hist +330 LPEAD No edit summary
- 17:4117:41, 20 March 2011 diff hist +3 LPEAD No edit summary
- 17:3817:38, 20 March 2011 diff hist +2,561 N LPEAD Created page with '{{TAGDEF|LPEAD|.TRUE. {{!}} .FALSE|.FALSE.}} Description: for {{TAG|LPEAD}}=.TRUE., the derivative of the cell-periodic part of the orbitals w.r.t. '''k''', |∇<sub>'''k'''…'
- 17:1117:11, 20 March 2011 diff hist −7 LCALCPOL No edit summary