User contributions for Vaspmaster

16:2016:20, 15 April 2014 diff hist −70‎ MDALGO ‎No edit summary
16:0116:01, 15 April 2014 diff hist −15‎ MDALGO ‎ →‎Constrained molecular dynamics
16:0016:00, 15 April 2014 diff hist +144‎ MDALGO ‎ →‎Constrained molecular dynamics
15:5615:56, 15 April 2014 diff hist 0‎ MDALGO ‎ →‎Constrained molecular dynamics
15:5515:55, 15 April 2014 diff hist +1‎ MDALGO ‎ →‎Constrained molecular dynamics
15:5515:55, 15 April 2014 diff hist +168‎ MDALGO ‎No edit summary
15:5115:51, 15 April 2014 diff hist +1,866‎ MDALGO ‎ →‎Constrained molecular dynamics
15:3315:33, 15 April 2014 diff hist −83‎ MDALGO ‎ →‎{{TAG|MDALGO}}=11: Biased-MD and metadynamics with Andersen thermostat
15:3115:31, 15 April 2014 diff hist +28‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat
15:3015:30, 15 April 2014 diff hist +14‎ MDALGO ‎ →‎{{TAG|MDALGO}}=21: Metadynamics with Nose-Hoover Thermostat
15:2915:29, 15 April 2014 diff hist −9‎ MDALGO ‎ →‎{{TAG|MDALGO}}=11: Biased-molecular- and meta-dynamics with Andersen thermostat
15:2815:28, 15 April 2014 diff hist +23‎ MDALGO ‎ →‎{{TAG|MDALGO}}=11: Metadynamics with Andersen thermostat
15:0315:03, 15 April 2014 diff hist +35‎ MDALGO ‎ →‎{{TAG|MDALGO}}=11: Metadynamics with Andersen thermostat
15:0215:02, 15 April 2014 diff hist +35‎ MDALGO ‎ →‎{{TAG|MDALGO}}=21: Metadynamics with Nose-Hoover Thermostat
15:0115:01, 15 April 2014 diff hist +3‎ MDALGO ‎ →‎{{TAG|MDALGO}}=21: Metadynamics with Nose-Hoover Thermostat
14:5914:59, 15 April 2014 diff hist +1,025‎ MDALGO ‎ →‎{{TAG|MDALGO}}=21: Metadynamics with Nose-Hoover Thermostat
14:5814:58, 15 April 2014 diff hist +1,033‎ MDALGO ‎ →‎{{TAG|MDALGO}}=11: Metadynamics with Andersen thermostat
10:3010:30, 15 April 2014 diff hist +107‎ MDALGO ‎No edit summary
10:2910:29, 15 April 2014 diff hist +39‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat

14:2314:23, 14 April 2014 diff hist 0‎ MDALGO ‎No edit summary
14:2114:21, 14 April 2014 diff hist −11‎ MDALGO ‎ →‎{{TAG|MDALGO}}=11: Metadynamics with Andersen thermostat
14:2114:21, 14 April 2014 diff hist −11‎ MDALGO ‎ →‎{{TAG|MDALGO}}=21: Metadynamics with Nose-Hoover Thermostat
14:2014:20, 14 April 2014 diff hist +213‎ MDALGO ‎No edit summary
14:1914:19, 14 April 2014 diff hist +1‎ MDALGO ‎ →‎{{TAG|MDALGO}}=11: Metadynamics with Andersen thermostat
14:1914:19, 14 April 2014 diff hist +212‎ MDALGO ‎ →‎{{TAG|MDALGO}}=11: Metadynamics with Andersen thermostat
14:0814:08, 14 April 2014 diff hist +682‎ MDALGO ‎No edit summary
14:0314:03, 14 April 2014 diff hist +1‎ MDALGO ‎ →‎{{TAG|MDALGO}}=11: Metadynamics with Andersen thermostat
14:0214:02, 14 April 2014 diff hist +686‎ MDALGO ‎No edit summary
13:2213:22, 14 April 2014 diff hist +3‎ MDALGO ‎ →‎{{TAG|MDALGO}}=2: NVT-ensemble with Nose-Hoover thermostat
13:2113:21, 14 April 2014 diff hist +503‎ MDALGO ‎No edit summary
13:1913:19, 14 April 2014 diff hist +394‎ MDALGO ‎No edit summary
13:1113:11, 14 April 2014 diff hist +2‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat
13:1113:11, 14 April 2014 diff hist +33‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat
13:1013:10, 14 April 2014 diff hist +18‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat
13:0913:09, 14 April 2014 diff hist +64‎ MDALGO ‎ →‎{{TAG|MDALGO}}=1: NVT-ensemble with Andersen thermostat

12:3112:31, 11 April 2014 diff hist +1‎ MDALGO ‎ →‎{{TAG|MDALGO}}=3:NVT- or NpT-ensemble with Langevin thermostat
08:3708:37, 11 April 2014 diff hist −1‎ MDALGO ‎ →‎{{TAG|MDALGO}}=13: multiple Anderson thermostats
08:3708:37, 11 April 2014 diff hist +209‎ MDALGO ‎No edit summary
08:3308:33, 11 April 2014 diff hist +45‎ MDALGO ‎No edit summary
08:3308:33, 11 April 2014 diff hist +29‎ MDALGO ‎No edit summary

18:0518:05, 10 April 2014 diff hist +1‎ MDALGO ‎ →‎{{TAG|MDALGO}}=3
18:0418:04, 10 April 2014 diff hist −3‎ MDALGO ‎ →‎{{TAG|MDALGO}}=3
18:0418:04, 10 April 2014 diff hist +2‎ MDALGO ‎No edit summary
18:0318:03, 10 April 2014 diff hist −5‎ MDALGO ‎No edit summary
17:5217:52, 10 April 2014 diff hist 0‎ MDALGO ‎ →‎{{TAG|MDALGO}}=3
17:5117:51, 10 April 2014 diff hist +3‎ MDALGO ‎No edit summary
17:4117:41, 10 April 2014 diff hist +55‎ MDALGO ‎No edit summary
17:3617:36, 10 April 2014 diff hist +1,022‎ MDALGO ‎No edit summary
17:1217:12, 10 April 2014 diff hist +2‎ MDALGO ‎No edit summary
17:1117:11, 10 April 2014 diff hist +53‎ MDALGO ‎No edit summary
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

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…'

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…'

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}},…'

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

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

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

15:3915:39, 16 January 2014 diff hist +42‎ GGA ‎No edit summary

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

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

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

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

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

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

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

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

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…'

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…'

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