User contributions for Mmars

10:2210:22, 5 June 2012 diff hist +4,185‎ N Liquid Si - Freezing ‎ Created page with 'Description: <tt>script</tt> performs molecular dynamics runs on liquid Si a decreasing temperatures, starting at 2000 K and ending at 800 K. This should contain the transition f…'

23:5523:55, 19 July 2011 diff hist +1,001‎ N LORBIT ‎ Created page with '{{TAGDEF|LORBIT|0 {{!}} 1 {{!}} 2 {{!}} 5 {{!}} 10 {{!}} 11 {{!}} 12 | None }} Description: {{TAG|LORBIT}}, together with an appropriate {{TAG|RWIGS}}, determines whether the {{…'
23:0323:03, 19 July 2011 diff hist 0‎ I CONSTRAINED M ‎No edit summary
12:4312:43, 19 July 2011 diff hist −16‎ LSORBIT ‎No edit summary

23:5723:57, 31 May 2011 diff hist +16‎ SAXIS ‎ →‎Related Tags and Sections
23:5423:54, 31 May 2011 diff hist +251‎ N SAXIS ‎ Created page with '{{TAGDEF|SAXIS|[real array]| 0+ 0 1}} Description: {{TAG|SAXIS}} specifies the quantisation axis for noncollinear spins. ---- == Related Tags and Sections == {{TAG|LSORBIT}}, {{…'

17:4817:48, 25 May 2011 diff hist −8‎ NFREE ‎No edit summary
17:4817:48, 25 May 2011 diff hist −8‎ SPRING ‎No edit summary
17:2217:22, 25 May 2011 diff hist 0‎ FERDO ‎ →‎Related Tags and Sections
17:2217:22, 25 May 2011 diff hist −25‎ FERDO ‎No edit summary
17:2117:21, 25 May 2011 diff hist +657‎ N FERDO ‎ Created page with '{{TAGDEF|FERDO|[real array]}} Description: {{TAG|FERDO}} sets the occupancies of the states in the down-spin channel for {{TAG|ISMEAR}}=-2 and {{TAG|ISPIN}}=2. ---- To set the o…'
17:1817:18, 25 May 2011 diff hist −20‎ ISMEAR ‎No edit summary
17:1717:17, 25 May 2011 diff hist +245‎ FERWE ‎No edit summary
17:1017:10, 25 May 2011 diff hist +50‎ ISMEAR ‎No edit summary
16:5616:56, 25 May 2011 diff hist +475‎ N FERWE ‎ Created page with '{{TAGDEF|FERWE|[real array]}} Description: {{TAG|FERWE}} sets the occupancies of the states for {{TAG|ISMEAR}}=-2. ---- In case of spin-polarized calculations ({{TAG|ISPIN}}=2),…'
16:2216:22, 25 May 2011 diff hist +84‎ ISMEAR ‎No edit summary

20:2520:25, 23 May 2011 diff hist +205‎ N SIGMA ‎ Created page with '{{TAGDEF|SIGMA|[real]|0.2}} Description: {{TAG|SIGMA}} determines the width of the smearing in eV. ---- == Related Tags and Sections == {{TAG|ISMEAR}} ---- [[The_VASP_Manual|Con…'
16:5816:58, 23 May 2011 diff hist +743‎ ISMEAR ‎No edit summary
16:5116:51, 23 May 2011 diff hist +7‎ ISMEAR ‎No edit summary
16:4716:47, 23 May 2011 diff hist +2,554‎ ISMEAR ‎No edit summary
16:3416:34, 23 May 2011 diff hist +167‎ ISMEAR ‎No edit summary
16:2916:29, 23 May 2011 diff hist +484‎ ISMEAR ‎No edit summary
16:1216:12, 23 May 2011 diff hist +1‎ ISMEAR ‎No edit summary
16:1216:12, 23 May 2011 diff hist +710‎ ISMEAR ‎No edit summary
01:2601:26, 23 May 2011 diff hist +30‎ ISMEAR ‎No edit summary

23:2023:20, 22 May 2011 diff hist +649‎ N ISMEAR ‎ Created page with '{{TAGDEF|ISMEAR|-5 {{!}} -4 {{!}} -3 {{!}} -2 {{!}} -1 {{!}} 0 {{!}} [integer]>0 |1}} Description: {{TAG|ISMEAR}} determines how the partial occupancies ''f''<sub>n'''k'''</sub>…'

23:1423:14, 6 April 2011 diff hist +32‎ LWRITE MMN AMN ‎No edit summary
23:1323:13, 6 April 2011 diff hist +393‎ LWRITE MMN AMN ‎No edit summary
23:0923:09, 6 April 2011 diff hist +410‎ N LWRITE MMN AMN ‎ Created page with '{{TAGDEF|LWRITE_MMN_AMN|.TRUE. {{!}} .FALSE.}} {{DEF|LWRITE_MMN_AMN|.TRUE.|if {{TAG|LWANNIER90}}{{=}}.TRUE.|.FALSE.|otherwise}} Description: {{TAG|LWRITE_MMN_AMN}}=.TRUE. tells …'
22:5722:57, 6 April 2011 diff hist +757‎ LWANNIER90 RUN ‎No edit summary
22:3222:32, 6 April 2011 diff hist +24‎ LWANNIER90 ‎No edit summary
22:3122:31, 6 April 2011 diff hist +25‎ LWANNIER90 RUN ‎No edit summary
22:2822:28, 6 April 2011 diff hist +382‎ N LWANNIER90 RUN ‎ Created page with '{{TAGDEF|LWANNIER90_RUN|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LWANNIER90_RUN}} runs <tt>wannier_setup</tt> (see {{TAG|LWANNIER90}}=.TRUE.) and subsequently executes …'