User contributions for Vaspmaster
10 April 2014
- 17:1017:10, 10 April 2014 diff hist +1 MDALGO No edit summary
- 17:0917:09, 10 April 2014 diff hist −101 MDALGO No edit summary
- 17:0517:05, 10 April 2014 diff hist +1 MDALGO No edit summary
- 17:0417:04, 10 April 2014 diff hist −6 MDALGO No edit summary
- 17:0317:03, 10 April 2014 diff hist +1,443 MDALGO No edit summary
- 16:4516:45, 10 April 2014 diff hist +298 MDALGO No edit summary
- 16:3716:37, 10 April 2014 diff hist +572 MDALGO No edit summary
- 16:3316:33, 10 April 2014 diff hist +12 MDALGO No edit summary
- 16:2516:25, 10 April 2014 diff hist +393 MDALGO No edit summary
- 16:2016:20, 10 April 2014 diff hist −38 MDALGO No edit summary
- 16:1516:15, 10 April 2014 diff hist −1 MDALGO No edit summary
- 16:1416:14, 10 April 2014 diff hist −1 MDALGO No edit summary
- 16:1416:14, 10 April 2014 diff hist +715 MDALGO No edit summary
- 13:3813:38, 10 April 2014 diff hist +169 MDALGO No edit summary
- 13:2713:27, 10 April 2014 diff hist +103 MDALGO No edit summary
- 13:1013:10, 10 April 2014 diff hist −1 MDALGO No edit summary
- 13:0913:09, 10 April 2014 diff hist −29 MDALGO No edit summary
- 12:0912:09, 10 April 2014 diff hist +57 MDALGO No edit summary
- 12:0312:03, 10 April 2014 diff hist −2 MDALGO No edit summary
- 12:0012:00, 10 April 2014 diff hist +985 MDALGO No edit summary
- 11:4311:43, 10 April 2014 diff hist +45 MDALGO No edit summary
- 11:4311:43, 10 April 2014 diff hist +37 MDALGO No edit summary
- 11:4211:42, 10 April 2014 diff hist +45 MDALGO No edit summary
- 11:3611:36, 10 April 2014 diff hist +2 MDALGO No edit summary
- 11:3611:36, 10 April 2014 diff hist +22 MDALGO No edit summary
- 11:3511:35, 10 April 2014 diff hist +471 MDALGO No edit summary
- 11:1911:19, 10 April 2014 diff hist +16 MDALGO No edit summary
- 10:0710:07, 10 April 2014 diff hist +166 MDALGO No edit summary
- 09:5309:53, 10 April 2014 diff hist +16 MDALGO No edit summary
- 09:5209:52, 10 April 2014 diff hist +56 MDALGO No edit summary
9 April 2014
- 15:3715:37, 9 April 2014 diff hist −10 MDALGO No edit summary
- 15:3715:37, 9 April 2014 diff hist 0 MDALGO No edit summary
- 15:3615:36, 9 April 2014 diff hist +19 MDALGO No edit summary
- 15:3615:36, 9 April 2014 diff hist −95 MDALGO No edit summary
- 15:3515:35, 9 April 2014 diff hist +7 MDALGO No edit summary
- 15:3515:35, 9 April 2014 diff hist −116 MDALGO No edit summary
- 15:3415:34, 9 April 2014 diff hist +823 MDALGO No edit summary
- 15:2015:20, 9 April 2014 diff hist +4 MDALGO No edit summary
- 15:1315:13, 9 April 2014 diff hist −1 MDALGO No edit summary
- 15:1215:12, 9 April 2014 diff hist +91 MDALGO No edit summary
- 15:1015:10, 9 April 2014 diff hist +604 N MDALGO Created page with '{{TAGDEF|MDALGO|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 11 {{!}} 21 {{!}} 13|0}} Description: {{TAG|MDALGO}} specifies the molecular dynamics simulation protocol. ---- == Related Tags…'
- 12:4712:47, 9 April 2014 diff hist +12 ISIF No edit summary
- 12:3812:38, 9 April 2014 diff hist +403 ISIF No edit summary
- 12:2512:25, 9 April 2014 diff hist +78 ISIF No edit summary
- 12:2512:25, 9 April 2014 diff hist +206 ISIF No edit summary
- 12:1612:16, 9 April 2014 diff hist +425 ISIF No edit summary
- 12:0912:09, 9 April 2014 diff hist +8 ISIF No edit summary
- 12:0912:09, 9 April 2014 diff hist +8 ISIF No edit summary
- 12:0812:08, 9 April 2014 diff hist 0 ISIF No edit summary
- 12:0712:07, 9 April 2014 diff hist +608 ISIF No edit summary
- 09:5809:58, 9 April 2014 diff hist +486 N ISIF Created page with '{{TAGDEF|ISIF|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 5 {{!}} 6}} {{DEF|ISIF|0|for {{TAG|IBRION}}{{=}}0 (molecular dynamics)|2|else}} Description: {{TAG|ISIF}} determines whether the st…'
8 April 2014
- 14:3414:34, 8 April 2014 diff hist +478 N APACO Created page with '{{TAGDEF|APACO|[integer]|256}} Description: {{TAG|APACO}} sets the maximum distance in the evaluation of the pair-correlation function (in Å). ---- VASP evaluates the pai…'
- 14:3114:31, 8 April 2014 diff hist +32 NPACO No edit summary
- 14:3014:30, 8 April 2014 diff hist +174 NPACO No edit summary
- 14:2614:26, 8 April 2014 diff hist +266 N NPACO Created page with '{{TAGDEF|NPACO|[integer]|256}} Description: {{TAG|NPACO}} sets the number of slots in the pair-correlation function written to {{FILE|PCDAT}}. ---- == Related Tags and Section…'
5 April 2014
- 18:0318:03, 5 April 2014 diff hist −87 ALGO No edit summary
- 16:5016:50, 5 April 2014 diff hist +740 N LSCALAPACK Created page with '{{TAGDEF|LSCALAPACK|[logical]}} {{DEF|LSCALAPACK|.TRUE.|if VASP is compiled with scaLAPACK support (precompiler flag -DscaLAPACK)|.FALSE.|otherwise}} Description: {{TAG|LSCALAPA…'
- 16:2016:20, 5 April 2014 diff hist +1 LSCALU No edit summary
- 16:2016:20, 5 April 2014 diff hist +7 LSCALU No edit summary
- 16:1916:19, 5 April 2014 diff hist −12 LSCALU No edit summary
- 16:1916:19, 5 April 2014 diff hist +289 LSCALU No edit summary
- 16:1516:15, 5 April 2014 diff hist +22 LSCALU No edit summary
- 16:1216:12, 5 April 2014 diff hist +374 LSCALU No edit summary
- 15:5715:57, 5 April 2014 diff hist +115 NSIM →Related Tags and Sections
- 15:5615:56, 5 April 2014 diff hist +39 KPAR No edit summary
- 15:5515:55, 5 April 2014 diff hist +39 NCORE No edit summary
- 15:5515:55, 5 April 2014 diff hist +39 NPAR No edit summary
- 15:5315:53, 5 April 2014 diff hist +39 LPLANE No edit summary
- 15:5315:53, 5 April 2014 diff hist +299 N LSCALU Created page with '{{TAGDEF|LSCALU|[logical]|.FALSE.}} Description: {{TAG|LSCALU}}. ---- == Related Tags and Sections == {{TAG|NPAR}}, {{TAG|NCORE}}, {{TAG|LPLANE}}, {{TAG|NSIM}}, {{TAG|KPAR}},…'
4 April 2014
- 12:2512:25, 4 April 2014 diff hist +4 LPLANE No edit summary
- 10:2310:23, 4 April 2014 diff hist +2,035 LPLANE No edit summary
- 10:2110:21, 4 April 2014 diff hist +30 NPAR No edit summary
- 10:1710:17, 4 April 2014 diff hist +9 LPLANE No edit summary
- 10:1610:16, 4 April 2014 diff hist +906 LPLANE No edit summary
- 10:0510:05, 4 April 2014 diff hist +59 LPLANE No edit summary
- 10:0010:00, 4 April 2014 diff hist +258 N LPLANE Created page with '{{TAGDEF|LPLANE|[logical]|.TRUE.}} Description: {{TAG|LPLANE}}. ---- == Related Tags and Sections == {{TAG|NPAR}}, {{TAG|NCORE}}, {{TAG|LSCALU}}, {{TAG|NSIM}}, {{TAG|KPAR}} -…'
- 09:4809:48, 4 April 2014 diff hist 0 Dielectric properties of SiC No edit summary
3 April 2014
- 15:3015:30, 3 April 2014 diff hist +416 SYMPREC No edit summary
- 15:1315:13, 3 April 2014 diff hist +273 N SYMPREC Created page with '{{TAGDEF|SYMPREC|[real]|<math>10^{-5}</math>}} Description: {{TAG|SYMPREC}} determines to which accuracy the positions in the {{FILE|POSCAR}} file must be specified. ---- == R…'
- 15:0115:01, 3 April 2014 diff hist +13 Category:INCAR No edit summary
- 14:5914:59, 3 April 2014 diff hist −3 Category:INCAR No edit summary
- 14:5714:57, 3 April 2014 diff hist +56 Category:INCAR No edit summary
10 February 2014
- 16:0716:07, 10 February 2014 diff hist +25 NGYROMAG No edit summary
- 16:0516:05, 10 February 2014 diff hist +9 NGYROMAG No edit summary
16 January 2014
- 15:3915:39, 16 January 2014 diff hist +42 GGA No edit summary
10 January 2014
- 15:4215:42, 10 January 2014 diff hist +13 LWANNIER90 No edit summary
- 15:4115:41, 10 January 2014 diff hist +99 LWANNIER90 No edit summary
15 March 2013
- 12:5512:55, 15 March 2013 diff hist +3 LCHIMAG No edit summary
- 12:5412:54, 15 March 2013 diff hist −1 LCHIMAG No edit summary
12 March 2013
- 16:2616:26, 12 March 2013 diff hist 0 NOMEGA No edit summary
- 16:2516:25, 12 March 2013 diff hist 0 NOMEGA No edit summary
11 March 2013
- 12:0512:05, 11 March 2013 diff hist −158 The VASP Manual No edit summary
- 00:5100:51, 11 March 2013 diff hist +21 NELM No edit summary
- 00:4600:46, 11 March 2013 diff hist +1 NELM No edit summary
- 00:4500:45, 11 March 2013 diff hist +2 NELM No edit summary
- 00:4400:44, 11 March 2013 diff hist −15 IALGO →Related Tags and Sections
- 00:4300:43, 11 March 2013 diff hist +2 IALGO →Direct optimization
- 00:4100:41, 11 March 2013 diff hist +5 IALGO →Direct optimization
10 March 2013
- 21:0721:07, 10 March 2013 diff hist +1 The VASP Manual →Getting started
- 21:0421:04, 10 March 2013 diff hist −2 The VASP Manual →Getting started
- 20:5920:59, 10 March 2013 diff hist +35 The VASP Manual →Getting started
- 20:5820:58, 10 March 2013 diff hist +5 The VASP Manual →Getting started
- 20:5420:54, 10 March 2013 diff hist +256 The VASP Manual →Getting started
- 20:4120:41, 10 March 2013 diff hist +253 The VASP Manual No edit summary
- 18:4318:43, 10 March 2013 diff hist −1 LHYPERFINE No edit summary
- 18:4318:43, 10 March 2013 diff hist +41 LHYPERFINE No edit summary
- 18:2718:27, 10 March 2013 diff hist −5 ISYM No edit summary
- 18:2318:23, 10 March 2013 diff hist +325 ISYM No edit summary
- 18:1218:12, 10 March 2013 diff hist +4,265 ISYM No edit summary
- 17:4817:48, 10 March 2013 diff hist +76 ISYM No edit summary
- 17:4817:48, 10 March 2013 diff hist +129 N ISYM Created page with '{{TAGDEF|ISYM|-1 {{!}} 0 {{!}} 1 {{!}} 2 {{!}} 3}} {{DEF|ISYM|1|if VASP runs with USPPs|3|if {{TAG|LHFCALC}}{{=}}.TRUE.|2| else}}'
- 17:3017:30, 10 March 2013 diff hist +180 NELECT No edit summary
- 17:2817:28, 10 March 2013 diff hist 0 IDIPOL →Related Tags and Sections
- 17:2817:28, 10 March 2013 diff hist 0 LDIPOL →Related Tags and Sections
- 17:2717:27, 10 March 2013 diff hist 0 LMONO →Related Tags and Sections
- 17:2717:27, 10 March 2013 diff hist 0 EFIELD →Related Tags and Sections
- 17:2717:27, 10 March 2013 diff hist +751 N EFIELD Created page with '{{TAGDEF|EFIELD|[real]}} Description: {{TAG|EFIELD}} controls the size of the applied electric field. ---- It is possible to apply an external electrostatic field in slab, or mo…'
- 17:2317:23, 10 March 2013 diff hist +2,121 N LMONO Created page with '{{TAGDEF|LMONO|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LMONO}} switches on monopole-monopole interaction correction to the potential. ---- Due to the periodic boundary…'
- 17:2217:22, 10 March 2013 diff hist +1,817 LDIPOL No edit summary
- 17:1817:18, 10 March 2013 diff hist +301 N LDIPOL Created page with '{{TAGDEF|LDIPOL|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: ---- == Related Tags and Sections == {{TAG|Monopole Dipole and Quadrupole_corrections}}, {{TAG|NELECT}}, {{TAG|EPS…'
- 17:1617:16, 10 March 2013 diff hist +2 DIPOL No edit summary
- 17:1417:14, 10 March 2013 diff hist −2 IDIPOL No edit summary
- 17:1417:14, 10 March 2013 diff hist +1,356 N IDIPOL Created page with '{{TAGDEF|IDIPOL|1 {{!}} 2 {{!}} 3 {{!}} 4}} Description: {{TAG|IDIPOL}} switches on monopole/dipole and quadrupole corrections to the total energy. ---- For {{TAG|IDIPOL}}=1-3, …'
- 17:0617:06, 10 March 2013 diff hist +1 EPSILON No edit summary
- 17:0417:04, 10 March 2013 diff hist +47 EPSILON No edit summary
- 17:0117:01, 10 March 2013 diff hist +852 N EPSILON Created page with '{{TAGDEF|EPSILON|[real]|1}} Description: {{TAG|EPSILON}} sets the dielectric constant of the medium. ---- VASP uses this flag only to scale the calculated monopole and dipole co…'
- 16:5316:53, 10 March 2013 diff hist +6 Monopole Dipole and Quadrupole Corrections No edit summary
- 16:5116:51, 10 March 2013 diff hist +601 Monopole Dipole and Quadrupole Corrections No edit summary
- 16:4716:47, 10 March 2013 diff hist +24 Monopole Dipole and Quadrupole Corrections No edit summary
- 16:4616:46, 10 March 2013 diff hist −22 Monopole Dipole and Quadrupole Corrections No edit summary
- 16:4016:40, 10 March 2013 diff hist +5 Monopole Dipole and Quadrupole Corrections No edit summary
- 16:3916:39, 10 March 2013 diff hist +389 Monopole Dipole and Quadrupole Corrections No edit summary
- 16:3816:38, 10 March 2013 diff hist +1,624 Monopole Dipole and Quadrupole Corrections No edit summary
- 16:3216:32, 10 March 2013 diff hist 0 Monopole Dipole and Quadrupole Corrections No edit summary
- 16:3116:31, 10 March 2013 diff hist +575 Monopole Dipole and Quadrupole Corrections No edit summary
- 16:2216:22, 10 March 2013 diff hist +1,711 Monopole Dipole and Quadrupole Corrections No edit summary
- 15:5515:55, 10 March 2013 diff hist +877 Monopole Dipole and Quadrupole Corrections No edit summary
- 15:3315:33, 10 March 2013 diff hist 0 Monopole Dipole and Quadrupole Corrections →References
- 15:3215:32, 10 March 2013 diff hist +337 Monopole Dipole and Quadrupole Corrections No edit summary
7 December 2012
- 17:0117:01, 7 December 2012 diff hist +1 Practical guide to GW calculations →Recipes
- 15:5315:53, 7 December 2012 diff hist −19 Practical guide to GW calculations →Recipes
- 15:5215:52, 7 December 2012 diff hist +1 Practical guide to GW calculations →Recipes
- 15:5215:52, 7 December 2012 diff hist −93 Practical guide to GW calculations →Recipes
- 14:5014:50, 7 December 2012 diff hist −6 CMBJ →References
6 December 2012
- 18:0718:07, 6 December 2012 diff hist −1 LMIXTAU No edit summary
- 18:0718:07, 6 December 2012 diff hist +89 LMIXTAU No edit summary
- 14:3514:35, 6 December 2012 diff hist 0 CMBJ No edit summary
5 December 2012
- 19:5419:54, 5 December 2012 diff hist +20 LMIXTAU No edit summary
- 19:5319:53, 5 December 2012 diff hist −1 LMIXTAU No edit summary
- 19:5219:52, 5 December 2012 diff hist +2 LMIXTAU No edit summary
- 19:5219:52, 5 December 2012 diff hist +4 LMIXTAU No edit summary
- 19:5219:52, 5 December 2012 diff hist +734 LMIXTAU No edit summary
- 19:4119:41, 5 December 2012 diff hist +236 N LMIXTAU Created page with '{{TAGDEF|LMIXTAU|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: send the kinetic energy density through the density mixer as well. ---- == Related Tags and Sections == {{TAG|LMET…'
- 19:3219:32, 5 December 2012 diff hist +4 LMAXTAU No edit summary
- 19:2419:24, 5 December 2012 diff hist −12 LMAXTAU No edit summary
- 19:2419:24, 5 December 2012 diff hist +18 LMAXTAU No edit summary
- 19:2119:21, 5 December 2012 diff hist −1 LMAXTAU No edit summary
- 19:2119:21, 5 December 2012 diff hist +2 LMAXTAU No edit summary
- 19:2019:20, 5 December 2012 diff hist +694 LMAXTAU No edit summary
- 18:5318:53, 5 December 2012 diff hist +20 LMAXTAU No edit summary
- 18:5218:52, 5 December 2012 diff hist +85 LMAXTAU No edit summary
- 18:4818:48, 5 December 2012 diff hist +4 LMAXTAU No edit summary
- 18:4618:46, 5 December 2012 diff hist +295 N LMAXTAU Created page with '{{TAGDEF|LMAXTAU|[integer]}} {{DEF|LMAXTAU|6|if {{TAG|LASPH}}=.TRUE.|0|else}} Description: {{TAG|LMAXTAU}} is ---- == Related Tags and Sections == {{TAG|METAGGA}}, {{TAG|CMBJ}}…'
- 18:0618:06, 5 December 2012 diff hist +1 LASPH No edit summary
- 18:0618:06, 5 December 2012 diff hist +1 CMBJB No edit summary
- 18:0618:06, 5 December 2012 diff hist +1 CMBJA No edit summary
- 18:0618:06, 5 December 2012 diff hist +1 CMBJ No edit summary
- 18:0518:05, 5 December 2012 diff hist 0 CMBJ No edit summary
- 18:0518:05, 5 December 2012 diff hist 0 CMBJA No edit summary
- 18:0518:05, 5 December 2012 diff hist 0 CMBJB No edit summary
- 18:0418:04, 5 December 2012 diff hist +1,270 N LASPH Created page with '{{TAGDEF|LASPH|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: include non-spherical contributions to the gradient corrections in the PAW spheres. ---- Usually VASP calculates only …'
- 17:4417:44, 5 December 2012 diff hist +369 N CMBJB Created page with '{{TAGDEF|CMBJB|[real]|1.023}} Description: sets the β parameter in the modified Becke-Johnson metagga potential. ---- See the description of the {{TAG|METAGGA}} or {{TAG|CM…'
- 17:4317:43, 5 December 2012 diff hist +377 N CMBJA Created page with '{{TAGDEF|CMBJA|[real]|−0.012}} Description: sets the α parameter in the modified Becke-Johnson metagga potential. ---- See the description of the {{TAG|METAGGA}} or …'
- 17:1217:12, 5 December 2012 diff hist +3,176 CMBJ No edit summary
- 16:5516:55, 5 December 2012 diff hist +260 N CMBJ Created page with '{{TAGDEF|CMBJ|[real (array)]|calculated selfconsistently}} Description: ---- == Related Tags and Sections == {{TAG|METAGGA}}, {{TAG|CMBJA}}, {{TAG|CMBJB}}, {{TAG|LASPH}}, {{TAG…'
- 16:2816:28, 5 December 2012 diff hist +2 LCHIMAG No edit summary
- 16:0816:08, 5 December 2012 diff hist +1,005 N NLSPLINE Created page with '{{TAGDEF|NLSPLINE|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: construct the PAW projectors in reciprocal space using spline interpolation so that they are ''k''-differentiable…'
- 14:2514:25, 5 December 2012 diff hist +1,063 N LNMR SYM RED Created page with '{{TAGDEF|LNMR_SYM_RED| .TRUE. {{!}} .FALSE. | .FALSE.}} Description: discard symmetry operations that are not consistent with the way ''k''-space derivative are calculated in th…'
- 14:1614:16, 5 December 2012 diff hist +900 N ICHIBARE Created page with '{{TAGDEF|ICHIBARE| 1 {{!}} 2 {{!}} 3 | 1}} Description: determines the order of the finite difference stencil used to calculate the magnetic susceptibility. ---- {{TAG|ICHIBARE…'
- 14:0414:04, 5 December 2012 diff hist +419 N DQ Created page with '{{TAGDEF|DQ|[real]| 0.001}} Description: step size for the finite difference ''k''-space derivative in the linear response calculation of chemical shifts. ---- Typical values fo…'
- 14:0014:00, 5 December 2012 diff hist +19 LCHIMAG No edit summary
4 December 2012
- 17:1617:16, 4 December 2012 diff hist +1,829 LCHIMAG No edit summary
- 17:0817:08, 4 December 2012 diff hist +915 LCHIMAG No edit summary
- 17:0317:03, 4 December 2012 diff hist +581 LCHIMAG No edit summary
- 16:5616:56, 4 December 2012 diff hist +2,786 LCHIMAG No edit summary
- 16:3516:35, 4 December 2012 diff hist +789 LCHIMAG No edit summary
- 16:2516:25, 4 December 2012 diff hist +941 N LCHIMAG Created page with '{{TAGDEF|LCHIMAG|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: ---- <ref name="pickard:prb:01"/><ref name="yates:prb:07"/><ref name="mason:ssn:93"/><ref name="gregor:jcp:99"/> …'
- 01:3701:37, 4 December 2012 diff hist +1 LEFG No edit summary
- 01:3701:37, 4 December 2012 diff hist +192 LEFG No edit summary
- 01:2901:29, 4 December 2012 diff hist −4 QUAD EFG →References
- 01:2801:28, 4 December 2012 diff hist +7 QUAD EFG →References
- 01:2601:26, 4 December 2012 diff hist −13 QUAD EFG →References
- 01:2501:25, 4 December 2012 diff hist +1 QUAD EFG →References
- 01:0101:01, 4 December 2012 diff hist +1 QUAD EFG No edit summary
- 01:0001:00, 4 December 2012 diff hist +44 QUAD EFG No edit summary
- 00:5900:59, 4 December 2012 diff hist +1,530 N QUAD EFG Created page with '{{TAGDEF|QUAD_EFG|[real array]|NTYP*1.0}} Description: nuclear quadrupole moment (in millbarn) for the atomic types on the {{FILE|POTCAR}} file. ---- Setting the {{TAG|QUAD_EFG}…'
- 00:4300:43, 4 December 2012 diff hist +940 LEFG No edit summary
- 00:3400:34, 4 December 2012 diff hist +15 LEFG No edit summary
- 00:3200:32, 4 December 2012 diff hist +622 N LEFG Created page with '{{TAGDEF|LEFG|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: compute the electric field gradients at positions of the atomic nuclei. ---- For {{TAG|LEFG}}=.TRUE., the electric fi…'
3 December 2012
- 19:1019:10, 3 December 2012 diff hist +610 N NGYROMAG Created page with '{{TAGDEF|NGYROMAG|[real array]|NTYP*1.0}} Description: {{TAG|NGYROMAG}} specifies the nuclear gyromagnetic ratios for the atomic types on the {{FILE|POTCAR}} file. ---- By mean…'
- 19:0319:03, 3 December 2012 diff hist +53 Category:INCAR No edit summary
- 18:5118:51, 3 December 2012 diff hist 0 LHYPERFINE No edit summary
- 18:5018:50, 3 December 2012 diff hist +2,826 LHYPERFINE No edit summary
- 18:4018:40, 3 December 2012 diff hist +2,257 LHYPERFINE No edit summary
- 18:2018:20, 3 December 2012 diff hist +29 LHYPERFINE No edit summary
- 18:1918:19, 3 December 2012 diff hist +56 LHYPERFINE No edit summary
- 18:1718:17, 3 December 2012 diff hist +172 N LHYPERFINE Created page with '{{TAGDEF|LKPROJ|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: ---- == Related Tags and Sections == {{TAG|NGYROMAG}} ---- Contents Category:INCAR'
- 15:5215:52, 3 December 2012 diff hist +98 LKPROJ No edit summary
- 15:4615:46, 3 December 2012 diff hist −25 LKPROJ No edit summary
- 15:4515:45, 3 December 2012 diff hist +47 PRJCAR No edit summary
- 15:4515:45, 3 December 2012 diff hist −1 PRJCAR No edit summary
- 15:4115:41, 3 December 2012 diff hist +28 PRJCAR No edit summary
- 15:3615:36, 3 December 2012 diff hist +41 LKPROJ No edit summary
- 15:3515:35, 3 December 2012 diff hist +329 LKPROJ No edit summary
- 15:2715:27, 3 December 2012 diff hist +41 PRJCAR No edit summary
- 15:2615:26, 3 December 2012 diff hist +68 PRJCAR No edit summary
- 15:2415:24, 3 December 2012 diff hist −2 LKPROJ No edit summary
- 15:1615:16, 3 December 2012 diff hist +40 PRJCAR No edit summary
- 15:1515:15, 3 December 2012 diff hist +1,150 PRJCAR No edit summary
- 15:0015:00, 3 December 2012 diff hist +87 N PRJCAR Created page with 'The PRJCAR file ---- Contents Category:VASPCategory:Files'
- 14:5914:59, 3 December 2012 diff hist +121 LKPROJ No edit summary
- 13:3813:38, 3 December 2012 diff hist +221 LKPROJ No edit summary
- 13:3313:33, 3 December 2012 diff hist +1,158 LKPROJ No edit summary
- 12:5912:59, 3 December 2012 diff hist +390 N LKPROJ Created page with '{{TAGDEF|LKPROJ|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: switches on the '''k'''-point projection scheme. ---- For {{TAG|LKPROJ}}=.TRUE., VASP will project the orbitals ont…'
26 September 2012
- 14:0414:04, 26 September 2012 diff hist −8 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:3113:31, 26 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 13:3013:30, 26 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 13:2513:25, 26 September 2012 diff hist +91 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 13:1813:18, 26 September 2012 diff hist −595 Bandstructure of SrVO3 in GW →The GW calculation
- 13:1813:18, 26 September 2012 diff hist −70 Bandstructure of SrVO3 in GW →The GW calculation
- 13:1513:15, 26 September 2012 diff hist +65 Bandstructure of SrVO3 in GW No edit summary
- 13:1413:14, 26 September 2012 diff hist +530 Bandstructure of SrVO3 in GW →The GW calculation
- 12:0512:05, 26 September 2012 diff hist +70 Bandstructure of SrVO3 in GW →The GW calculation
- 12:0312:03, 26 September 2012 diff hist −874 Bandstructure of SrVO3 in GW No edit summary
25 September 2012
- 21:3221:32, 25 September 2012 diff hist 0 NCORE No edit summary
- 21:3221:32, 25 September 2012 diff hist −36 NPAR No edit summary
- 21:3121:31, 25 September 2012 diff hist −36 NCORE No edit summary
- 21:3121:31, 25 September 2012 diff hist +482 KPAR No edit summary
- 21:2821:28, 25 September 2012 diff hist +48 NPAR No edit summary
- 21:2321:23, 25 September 2012 diff hist +28 NSIM No edit summary
- 21:2221:22, 25 September 2012 diff hist +16 KPAR No edit summary
- 21:2121:21, 25 September 2012 diff hist +2,022 NPAR No edit summary
- 21:1821:18, 25 September 2012 diff hist +1 NCORE No edit summary
- 21:1721:17, 25 September 2012 diff hist +138 NCORE No edit summary
- 21:1421:14, 25 September 2012 diff hist +1,883 NCORE No edit summary
- 21:0421:04, 25 September 2012 diff hist +14 KPAR No edit summary
- 21:0421:04, 25 September 2012 diff hist +14 NPAR No edit summary
- 21:0421:04, 25 September 2012 diff hist +14 NCORE No edit summary
- 21:0021:00, 25 September 2012 diff hist +10 NPAR No edit summary
- 20:5820:58, 25 September 2012 diff hist +2 NPAR No edit summary
- 20:5820:58, 25 September 2012 diff hist +1 NPAR No edit summary
- 20:5820:58, 25 September 2012 diff hist +2,551 N NPAR Created page with '{{TAGDEF|NPAR|[integer]|number of cores}} Description: {{TAG|NPAR}} determines the number of bands that are treated in parallel. ---- VASP currently offers parallelisation (an…'
- 20:5120:51, 25 September 2012 diff hist −1 NCORE No edit summary
- 20:5020:50, 25 September 2012 diff hist −14 NCORE No edit summary
- 20:5020:50, 25 September 2012 diff hist +870 NCORE No edit summary
- 20:4920:49, 25 September 2012 diff hist −14 NCORE No edit summary
- 20:3820:38, 25 September 2012 diff hist +1 NCORE No edit summary
- 20:3720:37, 25 September 2012 diff hist −1 NCORE No edit summary
- 20:3620:36, 25 September 2012 diff hist +139 NCORE No edit summary
- 20:2520:25, 25 September 2012 diff hist +805 NCORE No edit summary
- 20:1320:13, 25 September 2012 diff hist +13 NCORE No edit summary
- 20:1320:13, 25 September 2012 diff hist +537 NCORE No edit summary
- 20:0820:08, 25 September 2012 diff hist +29 NCORE No edit summary
- 20:0620:06, 25 September 2012 diff hist +29 KPAR No edit summary
- 20:0520:05, 25 September 2012 diff hist 0 NCORE →Related Tags and Sections
- 20:0520:05, 25 September 2012 diff hist +8 KPAR No edit summary
- 20:0420:04, 25 September 2012 diff hist +300 N NCORE Created page with '{{TAGDEF|NCORE|[integer]|1 }} Description: {{TAG|NCORE}} determines the number of '''k'''-points that are to be treated in parallel. ---- == Related Tags and Sections == {{T…'
- 19:5719:57, 25 September 2012 diff hist −1 KPAR No edit summary
- 19:5719:57, 25 September 2012 diff hist +36 KPAR No edit summary
- 19:5219:52, 25 September 2012 diff hist +28 KPAR No edit summary
- 19:5019:50, 25 September 2012 diff hist +644 KPAR No edit summary
- 19:4619:46, 25 September 2012 diff hist +192 N KPAR Created page with '{{TAGDEF|KPAR|[integer]|1 }} Description: {{TAG|KPAR}} ---- == Related Tags and Sections == {{TAG|NCORE}}, {{TAG|NPAR}}, {{TAG|LPLANE}} ---- Contents [[Ca…'
21 September 2012
- 14:0814:08, 21 September 2012 diff hist +20 MediaWiki:Sitenotice No edit summary
- 14:0714:07, 21 September 2012 diff hist +1 The VASP Manual →Support
- 13:0713:07, 21 September 2012 diff hist −195 The VASP Manual No edit summary
- 13:0613:06, 21 September 2012 diff hist +1 The VASP Manual →Support
- 13:0513:05, 21 September 2012 diff hist +256 The VASP Manual →Support
20 September 2012
- 21:0621:06, 20 September 2012 diff hist +3 The VASP Manual →Further reading and additional documentation
- 20:4220:42, 20 September 2012 diff hist +1 MediaWiki:Sitenotice No edit summary
- 20:3820:38, 20 September 2012 diff hist +127 MediaWiki:Sitenotice No edit summary
- 20:3620:36, 20 September 2012 diff hist +3 N MediaWiki:Sitenotice Created page with 'hoi'
- 20:3320:33, 20 September 2012 diff hist +29 N Main page Redirected page to The VASP Manual current
- 20:2520:25, 20 September 2012 diff hist −10 MediaWiki:Mainpage No edit summary current
- 20:2320:23, 20 September 2012 diff hist +19 N MediaWiki:Mainpage Created page with 'The_VASP_Manual'
- 19:1719:17, 20 September 2012 diff hist +46 The VASP Manual No edit summary
- 19:1619:16, 20 September 2012 diff hist +190 The VASP Manual No edit summary
- 19:0619:06, 20 September 2012 diff hist +1 The VASP Manual No edit summary
- 19:0619:06, 20 September 2012 diff hist +194 The VASP Manual No edit summary
- 14:1414:14, 20 September 2012 diff hist +75 Bandstructure of SrVO3 in GW No edit summary
- 11:3711:37, 20 September 2012 diff hist +284 Bandstructure of SrVO3 in GW No edit summary
- 11:3211:32, 20 September 2012 diff hist +589 Bandstructure of SrVO3 in GW No edit summary
- 10:5510:55, 20 September 2012 diff hist +223 Bandstructure of SrVO3 in GW No edit summary
18 September 2012
- 17:0017:00, 18 September 2012 diff hist −18 Bandstructure of SrVO3 in GW No edit summary
- 16:1516:15, 18 September 2012 diff hist +101 Bandstructure of SrVO3 in GW No edit summary
12 September 2012
- 19:1019:10, 12 September 2012 diff hist +80 N Talk:Bandstructure of SrVO3 in GW Created page with 'Should we add a "practical issue" concerning the OMP_NUM_THREADS in the .bashrc?' current
- 19:0719:07, 12 September 2012 diff hist +2 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 19:0719:07, 12 September 2012 diff hist −2 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 18:5718:57, 12 September 2012 diff hist +1 Bandstructure of SrVO3 in GW No edit summary
- 18:5318:53, 12 September 2012 diff hist +1 Bandstructure of SrVO3 in GW No edit summary
- 18:5318:53, 12 September 2012 diff hist +67 Bandstructure of SrVO3 in GW No edit summary
- 18:5018:50, 12 September 2012 diff hist +63 Bandstructure of SrVO3 in GW →A comparison to the HSE hybrid functional
- 18:2118:21, 12 September 2012 diff hist −4 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 18:2118:21, 12 September 2012 diff hist +5 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 18:0918:09, 12 September 2012 diff hist +2 Bandstructure of SrVO3 in GW No edit summary
- 18:0518:05, 12 September 2012 diff hist −1 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 18:0418:04, 12 September 2012 diff hist −21 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 17:4217:42, 12 September 2012 diff hist +64 Bandstructure of SrVO3 in GW →Download
- 17:2217:22, 12 September 2012 diff hist +24 Bandstructure of SrVO3 in GW →A comparison to the HSE hybrid functional
- 17:2117:21, 12 September 2012 diff hist +269 Bandstructure of SrVO3 in GW →A comparison to the HSE hybrid functional
- 17:1817:18, 12 September 2012 diff hist +41 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:5116:51, 12 September 2012 diff hist +3 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:5016:50, 12 September 2012 diff hist +163 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:4816:48, 12 September 2012 diff hist +18 Bandstructure of SrVO3 in GW →Obtain DFT virtual orbitals
- 16:4716:47, 12 September 2012 diff hist +221 Bandstructure of SrVO3 in GW →Obtain DFT virtual orbitals
- 16:4616:46, 12 September 2012 diff hist +74 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:4316:43, 12 September 2012 diff hist +1,090 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 16:3916:39, 12 September 2012 diff hist +88 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:3816:38, 12 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →The GW calculation
- 16:3816:38, 12 September 2012 diff hist +328 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:3716:37, 12 September 2012 diff hist +398 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 16:3516:35, 12 September 2012 diff hist +57 Bandstructure of SrVO3 in GW No edit summary
- 16:3416:34, 12 September 2012 diff hist +10 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:3216:32, 12 September 2012 diff hist +28 Bandstructure of SrVO3 in GW No edit summary
- 15:5415:54, 12 September 2012 diff hist −6 Bandstructure of SrVO3 in GW No edit summary
- 15:5315:53, 12 September 2012 diff hist +428 Bandstructure of SrVO3 in GW No edit summary
- 15:3915:39, 12 September 2012 diff hist +5 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 15:3915:39, 12 September 2012 diff hist +24 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 15:3515:35, 12 September 2012 diff hist −1 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 15:3415:34, 12 September 2012 diff hist +332 Bandstructure of SrVO3 in GW No edit summary
- 15:2715:27, 12 September 2012 diff hist +330 Bandstructure of SrVO3 in GW No edit summary
- 15:2515:25, 12 September 2012 diff hist +152 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 15:2215:22, 12 September 2012 diff hist −250 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 15:2115:21, 12 September 2012 diff hist +579 Bandstructure of SrVO3 in GW No edit summary
- 15:1815:18, 12 September 2012 diff hist +20 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 15:1615:16, 12 September 2012 diff hist +103 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 15:1415:14, 12 September 2012 diff hist +306 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 14:2614:26, 12 September 2012 diff hist +13 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 14:2514:25, 12 September 2012 diff hist −83 Bandstructure of SrVO3 in GW →The GW calculation
- 14:2414:24, 12 September 2012 diff hist +169 Bandstructure of SrVO3 in GW No edit summary
- 14:2214:22, 12 September 2012 diff hist +2 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 14:2214:22, 12 September 2012 diff hist −1 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 14:2114:21, 12 September 2012 diff hist +319 Bandstructure of SrVO3 in GW No edit summary
- 14:1714:17, 12 September 2012 diff hist +503 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:3513:35, 12 September 2012 diff hist +1 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:3413:34, 12 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →Obtain DFT virtual orbitals
- 13:3413:34, 12 September 2012 diff hist +67 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 13:3113:31, 12 September 2012 diff hist +16 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:3013:30, 12 September 2012 diff hist +94 Bandstructure of SrVO3 in GW No edit summary
- 13:2813:28, 12 September 2012 diff hist +33 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:2513:25, 12 September 2012 diff hist −2 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:2513:25, 12 September 2012 diff hist +907 Bandstructure of SrVO3 in GW No edit summary
- 10:4910:49, 12 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 10:3810:38, 12 September 2012 diff hist +104 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 10:1610:16, 12 September 2012 diff hist +69 Bandstructure of SrVO3 in GW No edit summary
- 10:1510:15, 12 September 2012 diff hist +777 Bandstructure of SrVO3 in GW No edit summary
- 10:1410:14, 12 September 2012 diff hist +470 Bandstructure of SrVO3 in GW →Obtain DFT virtual orbitals
11 September 2012
- 19:2819:28, 11 September 2012 diff hist +152 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 19:2619:26, 11 September 2012 diff hist +48 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 19:2319:23, 11 September 2012 diff hist +768 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 19:1719:17, 11 September 2012 diff hist +108 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 18:4418:44, 11 September 2012 diff hist +216 Bandstructure of SrVO3 in GW No edit summary
- 18:0518:05, 11 September 2012 diff hist +452 Bandstructure of SrVO3 in GW No edit summary
- 17:5717:57, 11 September 2012 diff hist −26 Bandstructure of Si in GW (VASP2WANNIER90) No edit summary
- 17:4717:47, 11 September 2012 diff hist +234 N Bandstructure of SrVO3 in GW Created page with '== The DFT groundstate calculation == === Analysis of the DOS === === Bandstructure using WANNIER90 === == Obtain DFT virtual orbitals == == The GW calculation == === Analys…'
- 17:2617:26, 11 September 2012 diff hist 0 ENCUT No edit summary
- 17:2617:26, 11 September 2012 diff hist −1 ENCUT No edit summary
- 17:2617:26, 11 September 2012 diff hist −40 ENCUT No edit summary
- 17:2117:21, 11 September 2012 diff hist −2 ENCUT No edit summary
- 17:2117:21, 11 September 2012 diff hist +23 ENCUT No edit summary
- 17:1717:17, 11 September 2012 diff hist +19 N ENMAX moved ENMAX to ENCUT current
- 17:1717:17, 11 September 2012 diff hist 0 m ENCUT moved ENMAX to ENCUT
3 September 2012
- 13:5713:57, 3 September 2012 diff hist +196 N Talk:Monopole Dipole and Quadrupole Corrections Created page with 'The description of the tags is too short, and in several cases not correct. Probably this page should basically duplicate the corresponding manual section completely. References…'
- 13:5213:52, 3 September 2012 diff hist +80 DIPOL No edit summary
- 13:0313:03, 3 September 2012 diff hist +322 DIPOL No edit summary
- 12:5012:50, 3 September 2012 diff hist +197 Monopole Dipole and Quadrupole Corrections No edit summary
- 12:4812:48, 3 September 2012 diff hist +71 DIPOL No edit summary
- 12:4512:45, 3 September 2012 diff hist +95 DIPOL →Related Tags and Sections
- 12:4412:44, 3 September 2012 diff hist −40 DIPOL No edit summary
- 12:4312:43, 3 September 2012 diff hist 0 DIPOL No edit summary
- 12:4112:41, 3 September 2012 diff hist +66 DIPOL No edit summary
13 June 2012
- 12:1012:10, 13 June 2012 diff hist +30 Bandgap of Si in GW →Step 1: a DFT groundstate calculation
- 12:1012:10, 13 June 2012 diff hist +206 Bandgap of Si in GW →Beyond G0W0: GW0
- 12:0612:06, 13 June 2012 diff hist +60 Bandgap of Si in GW →Step 1: a DFT groundstate calculation
9 June 2012
- 22:4022:40, 9 June 2012 diff hist +14 Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation No edit summary
- 22:3822:38, 9 June 2012 diff hist +123 Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation No edit summary
- 22:2722:27, 9 June 2012 diff hist −5 Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation No edit summary
- 17:0317:03, 9 June 2012 diff hist −4 Bandstructure of Si in GW (VASP2WANNIER90) No edit summary
8 June 2012
- 17:2017:20, 8 June 2012 diff hist 0 Si bandstructure →Download
7 June 2012
- 17:2017:20, 7 June 2012 diff hist +97 N Talk:Dielectric properties of SiC Created page with 'Should we include something on the description of dielectric properties using hybrid functionals?' current
- 17:1817:18, 7 June 2012 diff hist +68 N Talk:Bandgap of Si in GW Created page with 'Do we want to include something on single-shot GW starting from HSE?' current
- 17:1117:11, 7 June 2012 diff hist +73 Bandgap of Si in GW No edit summary
- 17:0917:09, 7 June 2012 diff hist +150 Bandgap of Si in GW No edit summary
- 16:5216:52, 7 June 2012 diff hist +87 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:5116:51, 7 June 2012 diff hist +3,464 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:4816:48, 7 June 2012 diff hist −6 Bandgap of Si in GW No edit summary
- 16:3816:38, 7 June 2012 diff hist +29 Bandgap of Si in GW →Beyond the random-phase-approximation
- 16:3616:36, 7 June 2012 diff hist +257 Bandgap of Si in GW No edit summary
- 16:3416:34, 7 June 2012 diff hist +241 Bandgap of Si in GW →Beyond the random-phase-approximation
- 16:3016:30, 7 June 2012 diff hist +2 Bandgap of Si in GW No edit summary
- 16:2916:29, 7 June 2012 diff hist −6 Bandgap of Si in GW →Beyond G0W0: GW0
- 16:2816:28, 7 June 2012 diff hist +47 Bandgap of Si in GW No edit summary
- 16:2616:26, 7 June 2012 diff hist +91 Bandgap of Si in GW →Beyond G0W0: GW0
- 16:2416:24, 7 June 2012 diff hist +14 Bandgap of Si in GW →Beyond G0W0: GW0
- 16:2416:24, 7 June 2012 diff hist +305 Bandgap of Si in GW →Beyond G0W0: GW0
- 16:2016:20, 7 June 2012 diff hist +1 Bandgap of Si in GW →Step: obtain DFT virtual orbitals
- 16:2016:20, 7 June 2012 diff hist +398 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:1316:13, 7 June 2012 diff hist −1 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:1216:12, 7 June 2012 diff hist +45 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:0916:09, 7 June 2012 diff hist +483 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:0816:08, 7 June 2012 diff hist +141 Bandgap of Si in GW No edit summary
- 16:0616:06, 7 June 2012 diff hist +394 Bandgap of Si in GW No edit summary
- 16:0016:00, 7 June 2012 diff hist +123 Bandgap of Si in GW →Step: obtain DFT virtual orbitals
- 15:5715:57, 7 June 2012 diff hist +33 Dielectric properties of SiC →Including local field effects
- 15:5715:57, 7 June 2012 diff hist +23 Dielectric properties of SiC →Including local field effects
- 15:5515:55, 7 June 2012 diff hist +15 Dielectric properties of SiC →Including local field effects
- 15:5315:53, 7 June 2012 diff hist +384 Bandgap of Si in GW No edit summary
- 15:3815:38, 7 June 2012 diff hist +116 Bandgap of Si in GW No edit summary
- 15:3415:34, 7 June 2012 diff hist +145 Bandgap of Si in GW No edit summary
- 15:0115:01, 7 June 2012 diff hist +368 N Bandgap of Si in GW Created page with 'Description: calculation of the bandgap of Si using various flavours of GW. ---- *INCAR <pre> </pre> *KPOINTS <pre> </pre> *POSCAR <pre> </pre> == Download == [http://www.…'
- 14:4414:44, 7 June 2012 diff hist +500 N Dielectric properties of Si Created page with 'Description: the static and frequency dependent dielectric properties of Si. ---- Please have a look at the example on [[Dielectric_properties_of_SiC|calculation of the static a…'
- 14:4014:40, 7 June 2012 diff hist +12,798 N Dielectric properties of SiC Created page with 'Description: the static and frequency dependent dielectric properties of SiC. ---- == Static dielectric properties == === Density functional perturbation theory === Let us sta…'
6 June 2012
- 17:4117:41, 6 June 2012 diff hist +4 H2O vibration No edit summary
- 17:3917:39, 6 June 2012 diff hist +4 H2O vibration No edit summary
5 June 2012
- 14:1514:15, 5 June 2012 diff hist 0 Fcc Si bandstructure No edit summary
4 June 2012
- 18:0918:09, 4 June 2012 diff hist +18 Fcc Ni DOS No edit summary
- 18:0818:08, 4 June 2012 diff hist +10 Fcc Ni No edit summary
- 18:0718:07, 4 June 2012 diff hist +32 Cd Si relaxation No edit summary
- 18:0618:06, 4 June 2012 diff hist +20 Beta-tin Si No edit summary
- 18:0618:06, 4 June 2012 diff hist +34 Cd Si volume relaxation No edit summary
- 18:0518:05, 4 June 2012 diff hist +18 Cd Si No edit summary
- 18:0518:05, 4 June 2012 diff hist +20 Fcc Si bandstructure No edit summary
- 18:0418:04, 4 June 2012 diff hist +18 Fcc Si DOS No edit summary
- 18:0418:04, 4 June 2012 diff hist +10 Fcc Si No edit summary
- 17:4817:48, 4 June 2012 diff hist +1,025 N Fcc Ni DOS Created page with '*INCAR SYSTEM = fcc Ni ISTART = 0 ; ICHARG=2 ENCUT = 270 ISMEAR = -5 LORBIT=11 ISPIN=2 MAGMOM = 1 *KPOINTS k-points 0 Monkhorst Pack 11 11 11 0 0…'
- 17:4517:45, 4 June 2012 diff hist +1,410 N Fcc Ni Created page with 'Description: fcc Ni (a spinpolarized metal). The bash-script <tt>loop.sh</tt> runs fcc Ni at several different lattice constants (3.0-3.9 Å) and collects free energy versus latt…'
- 17:3817:38, 4 June 2012 diff hist +629 N Cd Si relaxation Created page with 'Description: relax the internal coordinates of a perturbed cd Si structure. ---- *INCAR System = diamond Si START = 0 ; ICHARG=2 ENCUT = 240 ISMEAR = 0; SIGMA = 0.1; NS…'
- 17:3517:35, 4 June 2012 diff hist +551 N Beta-tin Si Created page with '*INCAR System = diamond Si ISMEAR = 0; SIGMA = 0.1; ENMAX = 240 IBRION=2; ISIF=3 ; NSW=15 EDIFF = 0.1E-04 EDIFFG = -0.01 *KPOINTS k-points 0 Monkhorst Pack 11 11 …'
- 17:3317:33, 4 June 2012 diff hist +630 N Cd Si volume relaxation Created page with 'Description: relax the internal coordinates, volume, and cell shape, of cd Si. ---- *INCAR System = diamond Si ISMEAR = 0; SIGMA = 0.1; ENMAX = 240 IBRION=2; ISIF=3 ; NSW=…'
- 17:2917:29, 4 June 2012 diff hist −1 Cd Si No edit summary
- 17:2917:29, 4 June 2012 diff hist +1,488 N Cd Si Created page with 'Description: the bash-script <tt>loop.sh</tt> runs Si in the cubic diamond (cd) structure at several different lattice constants (5.1-5.7 Å) and collects free energy versus latt…'
- 17:2217:22, 4 June 2012 diff hist −1 Fcc Si bandstructure No edit summary
- 17:2217:22, 4 June 2012 diff hist +1,117 N Fcc Si bandstructure Created page with 'Description: compute the bandstructure in fcc Si along L-Γ-X-U and K-Γ '''Mind''': For this calculations you need the {{FILE|CHGCAR}} file of the [[Fcc Si DOS|fcc Si…'
- 16:4116:41, 4 June 2012 diff hist +166 Fcc Si DOS No edit summary
- 16:3816:38, 4 June 2012 diff hist −5 Fcc Si No edit summary
- 16:3716:37, 4 June 2012 diff hist −13 Fcc Si DOS No edit summary
- 16:3516:35, 4 June 2012 diff hist +675 Fcc Si DOS No edit summary
- 16:2916:29, 4 June 2012 diff hist +229 N Fcc Si DOS Created page with '*INCAR *KPOINTS *POSCAR == Download == [http://www.vasp.at/vasp-workshop/examples/name.tgz name.tgz] ---- To the list of examples or to the […'
- 16:2816:28, 4 June 2012 diff hist 0 Fcc Si No edit summary
- 16:2816:28, 4 June 2012 diff hist +293 Fcc Si No edit summary
- 16:1616:16, 4 June 2012 diff hist +184 Fcc Si No edit summary
- 16:0916:09, 4 June 2012 diff hist +859 N Fcc Si Created page with '*INCAR System = fcc Si ISTART = 0 ; ICHARG=2 ENCUT = 240 ISMEAR = 0; SIGMA = 0.1 *KPOINTS k-points 0 Monkhorst Pack 11 11 11 0 0 0 *POSCAR fcc Si: 3.9 0.…'
- 15:4715:47, 4 June 2012 diff hist +870 N H2O molecular dynamics Created page with '*INCAR PREC = Normal ! standard precision ENMAX = 400 ! cutoff should be set manually ISMEAR = 0 ; SIGMA = 0.1 IBRION = 0 ! molecular dynamics NSW = 100 …'
- 15:4515:45, 4 June 2012 diff hist +14 CO partial DOS No edit summary
- 15:4215:42, 4 June 2012 diff hist 0 m CO partial DOS moved CO2 partial DOS to CO partial DOS: old one was wrong
- 15:4215:42, 4 June 2012 diff hist +853 N CO partial DOS Created page with '*INCAR SYSTEM = CO molecule in a box ISMEAR = 0 ! Gaussian smearing LORBIT = 11 *KPOINTS Gamma-point only 1 ! one k-point rec ! in units of the reciprocal lat…'
- 15:4015:40, 4 June 2012 diff hist +989 N H2O vibration Created page with '*INCAR SYSTEM = H2O vibration ISMEAR = 0 ! Gaussian smearing IBRION = 5 ! use the conjugate gradient algorithm NFREE = 2 ! central differences POTIM = 0.02 ! 0.02 A s…'
- 15:3815:38, 4 June 2012 diff hist +858 N H2O Created page with '*INCAR PREC = Normal ! standard precision ENMAX = 400 ! cutoff should be set manually ISMEAR = 0 ; SIGMA = 0.1 IBRION = 1 ! use DIIS algorithm to converge NFR…'
- 15:3615:36, 4 June 2012 diff hist +1,003 N CO vibration Created page with '*INCAR SYSTEM = CO molecule in a box ISMEAR = 0 ! Gaussian smearing IBRION = 5 ! use the conjugate gradient algorithm NFREE = 2 ! central differences POTIM = 0.02 ! 0…'
- 15:3415:34, 4 June 2012 diff hist +849 N CO Created page with '*INCAR SYSTEM = CO molecule in a box ISMEAR = 0 ! Gaussian smearing NSW = 5 ! 5 ionic steps IBRION = 2 ! use the conjugate gradient algorithm *KPOINTS Gamma-point only …'
- 15:3315:33, 4 June 2012 diff hist +874 N O dimer Created page with '*INCAR SYSTEM = O2 dimer in a box ISMEAR = 0 ! Gaussian smearing ISPIN = 2 ! spin polarized calculation NSW = 5 ! 5 ionic steps IBRION = 2 ! use the conjugate gradient a…'
- 15:3115:31, 4 June 2012 diff hist −1 O atom No edit summary
- 15:3115:31, 4 June 2012 diff hist +780 N O atom spinpolarized low symmetry Created page with '*INCAR SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing SIGMA = 0.01 ISPIN = 2 ! spin polarized calculation *KPOINTS Gamma-point only 1 ! one k-point r…'
- 15:2815:28, 4 June 2012 diff hist +753 N O atom spinpolarized Created page with '*INCAR SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing ISPIN = 2 ! spin polarized calculation *KPOINTS Gamma-point only 1 ! one k-point rec ! in u…'
- 15:2415:24, 4 June 2012 diff hist +94 O atom No edit summary
- 15:1915:19, 4 June 2012 diff hist +30 O atom No edit summary
- 15:1815:18, 4 June 2012 diff hist −12 O atom No edit summary
- 15:1815:18, 4 June 2012 diff hist +12 O atom No edit summary
- 15:1815:18, 4 June 2012 diff hist +580 N O atom Created page with '*INCAR SYSTEM = O atom in a box ISMEAR = 0 ! Gaussian smearing *KPOINTS Gamma-point only 1 ! one k-point rec ! in units of the reciprocal lattice vector 0 …'
- 13:1813:18, 4 June 2012 diff hist +112 N Category:Examples Created page with 'All articles related to VASP example calculations ---- Contents Examples'
28 February 2011
- 12:1312:13, 28 February 2011 diff hist +6 LWAVE No edit summary
- 12:1212:12, 28 February 2011 diff hist +5 LWAVE No edit summary
- 12:1112:11, 28 February 2011 diff hist +29 Practical guide to GW calculations No edit summary
- 12:0912:09, 28 February 2011 diff hist −27 NOMEGA No edit summary
- 12:0612:06, 28 February 2011 diff hist +108 N Talk:ScGW0 caveat Created page with 'Probably we should merge this ''caveat'' with scGW0 recipe page, and then remove it as a standalone article.' current
8 February 2011
- 17:2917:29, 8 February 2011 diff hist 0 MediaWiki:Cite references link many format No edit summary current
- 17:2817:28, 8 February 2011 diff hist +31 N MediaWiki:Cite references link one Created page with '<li id="$1">↑ $3</li>' current
- 17:2517:25, 8 February 2011 diff hist 0 MediaWiki:Cite references link many format No edit summary
- 17:2417:24, 8 February 2011 diff hist 0 MediaWiki:Cite references link many format No edit summary
- 17:2217:22, 8 February 2011 diff hist +3 MediaWiki:Cite references link many No edit summary current
- 17:2117:21, 8 February 2011 diff hist +23 N MediaWiki:Cite references link many Created page with '<li id="$1">↑ $2</li>'
- 17:2117:21, 8 February 2011 diff hist 0 MediaWiki:Cite references link many format No edit summary
- 17:2017:20, 8 February 2011 diff hist 0 MediaWiki:Cite references link many format No edit summary
- 17:1817:18, 8 February 2011 diff hist 0 MediaWiki:Cite references link many format No edit summary
- 17:1817:18, 8 February 2011 diff hist +21 N MediaWiki:Cite references link many format Created page with '<sup>$3</sup>'
14 April 2010
- 13:1913:19, 14 April 2010 diff hist +6 Main Page No edit summary current
- 12:5612:56, 14 April 2010 diff hist +73 Main Page No edit summary
- 12:5512:55, 14 April 2010 diff hist 0 m Template:TAG 1 revision current
- 12:5512:55, 14 April 2010 diff hist 0 m Template:TAGDEF 1 revision current
- 12:5512:55, 14 April 2010 diff hist 0 m Template:FILE 1 revision current
- 12:5512:55, 14 April 2010 diff hist 0 m Template:DEF 1 revision
- 12:5512:55, 14 April 2010 diff hist 0 m Template:= 1 revision current
- 12:5512:55, 14 April 2010 diff hist 0 m Template:!- 1 revision current
- 12:5512:55, 14 April 2010 diff hist 0 m The VASP Manual 1 revision
- 12:5512:55, 14 April 2010 diff hist 0 m ICHARG 1 revision
- 12:5512:55, 14 April 2010 diff hist 0 m PREC 1 revision
- 12:5412:54, 14 April 2010 diff hist 0 m POTCAR 1 revision
- 12:5412:54, 14 April 2010 diff hist 0 m INCAR 1 revision
- 12:5412:54, 14 April 2010 diff hist 0 m CHGCAR 1 revision
- 12:5412:54, 14 April 2010 diff hist 0 m WAVECAR 1 revision
- 12:5412:54, 14 April 2010 diff hist 0 m Category:INCAR 1 revision