User contributions for Mmars

22:4522:45, 29 March 2011 diff hist −10‎ NBLOCK ‎No edit summary
22:3122:31, 29 March 2011 diff hist +24‎ TEEND ‎No edit summary
22:3022:30, 29 March 2011 diff hist 0‎ TEEND ‎No edit summary
22:3022:30, 29 March 2011 diff hist +309‎ N TEEND ‎ Created page with '{{TAGDEF|TEEND|[real]|{{TAG|TEBEG}}}} Description: {{TAG|TEBEG}} sets the final temperature for an ab-initio molecular dynamics run ({{TAG|IBRION}}=0). ---- == Related Tags and …'
22:2122:21, 29 March 2011 diff hist +16‎ TEBEG ‎No edit summary
22:1922:19, 29 March 2011 diff hist +1,360‎ N TEBEG ‎ Created page with '{{TAGDEF|TEBEG|[real]|0}} Description: {{TAG|TEBEG}} sets the start temperature for an ab-initio molecular dynamics run ({{TAG|IBRION}}=0). ---- If no initial velocities are sup…'
19:2819:28, 29 March 2011 diff hist +14‎ NOMEGAR ‎No edit summary
19:2719:27, 29 March 2011 diff hist +3‎ NOMEGAR ‎No edit summary
19:2619:26, 29 March 2011 diff hist +8‎ NOMEGAR ‎No edit summary
19:0319:03, 29 March 2011 diff hist +5‎ SMASS ‎No edit summary
19:0319:03, 29 March 2011 diff hist +1‎ SMASS ‎No edit summary
19:0219:02, 29 March 2011 diff hist −65‎ SMASS ‎No edit summary
19:0019:00, 29 March 2011 diff hist +52‎ SMASS ‎ →‎References
18:5618:56, 29 March 2011 diff hist +12‎ SMASS ‎ →‎References
18:5518:55, 29 March 2011 diff hist +1‎ SMASS ‎No edit summary
18:5418:54, 29 March 2011 diff hist +2,551‎ SMASS ‎No edit summary

10:2610:26, 28 March 2011 diff hist +176‎ SMASS ‎No edit summary
08:3608:36, 28 March 2011 diff hist +186‎ N SMASS ‎ Created page with '{{TAGDEF|SMASS|-3 {{!}} -2 {{!}} -1 {{!}} [real] ≥ 0|-3}} Description: ---- == Related Tags and Sections == ---- Contents Category:INCAR[[Category:Dy…'

19:3419:34, 27 March 2011 diff hist −5‎ The VASP Manual ‎No edit summary
19:3319:33, 27 March 2011 diff hist +1‎ The VASP Manual ‎No edit summary
19:3319:33, 27 March 2011 diff hist +4‎ The VASP Manual ‎No edit summary
19:3119:31, 27 March 2011 diff hist +3‎ The VASP Manual ‎No edit summary
16:3916:39, 27 March 2011 diff hist +63‎ The VASP Manual ‎ →‎Output
16:3716:37, 27 March 2011 diff hist +16‎ The VASP Manual ‎ →‎Output
16:3416:34, 27 March 2011 diff hist +1‎ The VASP Manual ‎No edit summary
16:3416:34, 27 March 2011 diff hist −46‎ The VASP Manual ‎No edit summary
16:3416:34, 27 March 2011 diff hist −25‎ The VASP Manual ‎No edit summary
16:1116:11, 27 March 2011 diff hist +40‎ The VASP Manual ‎ →‎Output
16:0716:07, 27 March 2011 diff hist −5‎ The VASP Manual ‎ →‎Howto's
16:0616:06, 27 March 2011 diff hist −6‎ The VASP Manual ‎ →‎Getting started
16:0616:06, 27 March 2011 diff hist +22‎ The VASP Manual ‎ →‎Getting started
16:0516:05, 27 March 2011 diff hist +48‎ The VASP Manual ‎ →‎Getting started
16:0416:04, 27 March 2011 diff hist +19‎ The VASP Manual ‎ →‎Getting started
16:0316:03, 27 March 2011 diff hist +6‎ The VASP Manual ‎ →‎About this manual
16:0216:02, 27 March 2011 diff hist −38‎ The VASP Manual ‎No edit summary
15:5815:58, 27 March 2011 diff hist −44‎ The VASP Manual ‎No edit summary
15:5615:56, 27 March 2011 diff hist −3‎ The VASP Manual ‎ →‎Installation and validation
15:5515:55, 27 March 2011 diff hist +47‎ The VASP Manual ‎No edit summary
15:5315:53, 27 March 2011 diff hist +139‎ The VASP Manual ‎ →‎Installation and validation
15:4615:46, 27 March 2011 diff hist −2‎ The VASP Manual ‎ →‎About this manual
15:4615:46, 27 March 2011 diff hist +1‎ The VASP Manual ‎ →‎About this manual
15:4515:45, 27 March 2011 diff hist +2‎ The VASP Manual ‎ →‎About this manual
15:4115:41, 27 March 2011 diff hist +18‎ The VASP Manual ‎ →‎Postprocessing
15:4015:40, 27 March 2011 diff hist +153‎ The VASP Manual ‎No edit summary
15:3815:38, 27 March 2011 diff hist 0‎ The VASP Manual ‎ →‎Output
15:3715:37, 27 March 2011 diff hist −1‎ The VASP Manual ‎ →‎Output
15:3715:37, 27 March 2011 diff hist +15‎ The VASP Manual ‎ →‎Output
15:3615:36, 27 March 2011 diff hist +49‎ The VASP Manual ‎ →‎Output
15:3415:34, 27 March 2011 diff hist +155‎ The VASP Manual ‎ →‎Output
15:2815:28, 27 March 2011 diff hist +18‎ The VASP Manual ‎ →‎Output
15:2215:22, 27 March 2011 diff hist +27‎ The VASP Manual ‎ →‎Input
15:2115:21, 27 March 2011 diff hist +26‎ The VASP Manual ‎ →‎Input
15:2015:20, 27 March 2011 diff hist +9‎ The VASP Manual ‎ →‎Input
15:2015:20, 27 March 2011 diff hist −14‎ The VASP Manual ‎ →‎Input
15:2015:20, 27 March 2011 diff hist +32‎ The VASP Manual ‎ →‎Input
14:2314:23, 27 March 2011 diff hist +87‎ The VASP Manual ‎ →‎Further reading and additional documentation
14:2214:22, 27 March 2011 diff hist +45‎ The VASP Manual ‎No edit summary
14:2214:22, 27 March 2011 diff hist +52‎ The VASP Manual ‎No edit summary
14:1514:15, 27 March 2011 diff hist +10‎ The VASP Manual ‎ →‎The VASP workshop
14:1414:14, 27 March 2011 diff hist +37‎ The VASP Manual ‎ →‎Getting started
14:1314:13, 27 March 2011 diff hist −1,776‎ The VASP Manual ‎No edit summary
14:1214:12, 27 March 2011 diff hist +1,848‎ N VASP workshop 2003 ‎ Created page with '=== Lectures === [http://cms.mpi.univie.ac.at/vasp-workshop/slides/comput_mat.pdf Introduction to Computational Materials] [http://cms.mpi.univie.ac.at/vasp-workshop/slides/dft_…'
14:0614:06, 27 March 2011 diff hist +91‎ N Category:Files ‎ Created page with 'All VASP input and output files. ---- Contents Files'
13:4513:45, 27 March 2011 diff hist −4‎ The VASP Manual ‎ →‎Exercises
13:4413:44, 27 March 2011 diff hist +657‎ The VASP Manual ‎ →‎The VASP workshop
13:3113:31, 27 March 2011 diff hist +1,001‎ The VASP Manual ‎ →‎Lectures
13:2313:23, 27 March 2011 diff hist +107‎ The VASP Manual ‎ →‎Lectures
13:1913:19, 27 March 2011 diff hist +199‎ The VASP Manual ‎ →‎The VASP workshop
13:1713:17, 27 March 2011 diff hist −2‎ The VASP Manual ‎ →‎Getting started
13:1513:15, 27 March 2011 diff hist +18‎ CHGCAR ‎No edit summary
13:1413:14, 27 March 2011 diff hist +18‎ WAVECAR ‎No edit summary
13:1413:14, 27 March 2011 diff hist +18‎ POTCAR ‎No edit summary
13:1313:13, 27 March 2011 diff hist +18‎ INCAR ‎No edit summary
13:0813:08, 27 March 2011 diff hist −86‎ The VASP Manual ‎ →‎Howto's
12:3512:35, 27 March 2011 diff hist +3,915‎ IBRION ‎ →‎Some general comments
12:2012:20, 27 March 2011 diff hist 0‎ IBRION ‎ →‎{{TAG|IBRION}}=44: the Improved Dimer Method
12:1812:18, 27 March 2011 diff hist +27‎ IBRION ‎ →‎{{TAG|IBRION}}=44
12:1612:16, 27 March 2011 diff hist −11‎ IBRION ‎ →‎{{TAG|IBRION}}=3: ionic relaxation (damped molecular dynamics).
12:1512:15, 27 March 2011 diff hist −1‎ IBRION ‎ →‎{{TAG|IBRION}}=1: ionic relaxation (RMM-DIIS).
12:1512:15, 27 March 2011 diff hist +2,538‎ IBRION ‎No edit summary

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…'

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

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

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''', |∇'''k'''…'
17:1117:11, 20 March 2011 diff hist −7‎ LCALCPOL ‎No edit summary
16:5816:58, 20 March 2011 diff hist −5‎ LCALCPOL ‎No edit summary
16:5716:57, 20 March 2011 diff hist +17‎ LCALCPOL ‎No edit summary
16:5516:55, 20 March 2011 diff hist +2,051‎ LCALCPOL ‎No edit summary
16:3116:31, 20 March 2011 diff hist +48‎ EFIELD PEAD ‎No edit summary
16:3016:30, 20 March 2011 diff hist +24‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
16:2516:25, 20 March 2011 diff hist +25‎ EFIELD PEAD ‎ →‎References
16:2316:23, 20 March 2011 diff hist +963‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
16:1816:18, 20 March 2011 diff hist +235‎ EFIELD PEAD ‎No edit summary
16:1516:15, 20 March 2011 diff hist +149‎ EFIELD PEAD ‎No edit summary
16:0516:05, 20 March 2011 diff hist +9,505‎ EFIELD PEAD ‎No edit summary
15:2015:20, 20 March 2011 diff hist +264‎ EFIELD PEAD ‎No edit summary
12:1612:16, 20 March 2011 diff hist +177‎ N EFIELD PEAD ‎ Created page with '{{TAGDEF|EFIELD_PEAD|[real array]}} {{DEF|EFIELD_PEAD|3*0.01|if {{TAG|LCALCEPS}}{{=}}.TRUE.|3*0.0|else}} Description: ---- ---- Contents Category:INCAR'
11:4011:40, 20 March 2011 diff hist +5‎ LCALCEPS ‎No edit summary
11:3611:36, 20 March 2011 diff hist +448‎ LCALCEPS ‎No edit summary

17:4017:40, 19 March 2011 diff hist +1,030‎ LCALCEPS ‎No edit summary
16:1216:12, 19 March 2011 diff hist +285‎ LCALCEPS ‎No edit summary
14:1814:18, 19 March 2011 diff hist +585‎ LCALCEPS ‎No edit summary
13:0013:00, 19 March 2011 diff hist −1‎ LCALCEPS ‎No edit summary
13:0013:00, 19 March 2011 diff hist +1‎ LCALCEPS ‎No edit summary
12:5912:59, 19 March 2011 diff hist +1‎ LCALCEPS ‎No edit summary
12:5912:59, 19 March 2011 diff hist +966‎ LCALCEPS ‎No edit summary
12:5012:50, 19 March 2011 diff hist +639‎ N LCALCEPS ‎ Created page with '{{TAGDEF|LCALCEPS|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: for {{TAG|LCALCEPS}}=.TRUE. the macroscopic ion-clamped static dielectric tensor, Born effective charge tensors, an…'
11:4611:46, 19 March 2011 diff hist −14‎ LCALCPOL ‎No edit summary
11:4611:46, 19 March 2011 diff hist +14‎ LCALCPOL ‎No edit summary
11:2911:29, 19 March 2011 diff hist 0‎ LCALCPOL ‎ →‎Related Tags and Sections
11:2911:29, 19 March 2011 diff hist +263‎ LCALCPOL ‎No edit summary
11:2511:25, 19 March 2011 diff hist +263‎ LCALCPOL ‎No edit summary
11:2211:22, 19 March 2011 diff hist −3‎ LCALCPOL ‎No edit summary
11:2211:22, 19 March 2011 diff hist +13‎ LCALCPOL ‎No edit summary
11:2111:21, 19 March 2011 diff hist +401‎ N LCALCPOL ‎ Created page with '{{TAGDEF|LCALCPOL|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LCALCPOL}}=.TRUE. switches on the evaluation of the Berry phase expressions for the macroscopic electronic p…'

17:0217:02, 12 March 2011 diff hist +526‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
16:4516:45, 12 March 2011 diff hist +1‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
16:3616:36, 12 March 2011 diff hist −144‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields

14:5114:51, 11 March 2011 diff hist +1‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
14:4914:49, 11 March 2011 diff hist +16‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
14:4814:48, 11 March 2011 diff hist +102‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
14:4614:46, 11 March 2011 diff hist +2‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
14:4314:43, 11 March 2011 diff hist +348‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
14:3514:35, 11 March 2011 diff hist +527‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
12:4212:42, 11 March 2011 diff hist +20‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
12:3212:32, 11 March 2011 diff hist +2‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
12:1712:17, 11 March 2011 diff hist +816‎ Berry phases and finite electric fields ‎No edit summary

13:1313:13, 10 March 2011 diff hist +45‎ Berry phases and finite electric fields ‎ →‎References
13:0813:08, 10 March 2011 diff hist −146‎ Berry phases and finite electric fields ‎ →‎References

11:4511:45, 9 March 2011 diff hist +1‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
11:4511:45, 9 March 2011 diff hist +1‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
11:4511:45, 9 March 2011 diff hist +1‎ Berry phases and finite electric fields ‎ →‎References
11:4511:45, 9 March 2011 diff hist +57‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
11:4411:44, 9 March 2011 diff hist +109‎ Berry phases and finite electric fields ‎ →‎References
11:4211:42, 9 March 2011 diff hist −4‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
11:1411:14, 9 March 2011 diff hist +389‎ Berry phases and finite electric fields ‎No edit summary
10:4410:44, 9 March 2011 diff hist +1,599‎ Berry phases and finite electric fields ‎ →‎Self-consistent response to finite electric fields
10:0110:01, 9 March 2011 diff hist +111‎ Talk:GW recipes ‎No edit summary current
09:5909:59, 9 March 2011 diff hist 0‎ Berry phases and finite electric fields ‎ →‎Related Tags and Sections
09:5809:58, 9 March 2011 diff hist +195‎ Berry phases and finite electric fields ‎No edit summary

18:4918:49, 8 March 2011 diff hist +5‎ Berry phases and finite electric fields ‎ →‎Computational aspects
18:4818:48, 8 March 2011 diff hist +131‎ Berry phases and finite electric fields ‎ →‎Computational aspects
18:4518:45, 8 March 2011 diff hist +138‎ Berry phases and finite electric fields ‎ →‎Computational aspects
18:3218:32, 8 March 2011 diff hist +1‎ Berry phases and finite electric fields ‎No edit summary
18:1918:19, 8 March 2011 diff hist +593‎ Berry phases and finite electric fields ‎No edit summary

17:2417:24, 7 March 2011 diff hist +15‎ Practical guide to GW calculations ‎ →‎Recipes
17:2117:21, 7 March 2011 diff hist +16‎ Practical guide to GW calculations ‎ →‎Recipes
17:1817:18, 7 March 2011 diff hist +13‎ Practical guide to GW calculations ‎ →‎Recipes
17:1717:17, 7 March 2011 diff hist +15‎ Practical guide to GW calculations ‎ →‎Recipes
17:1717:17, 7 March 2011 diff hist 0‎ Practical guide to GW calculations ‎ →‎Recipes
17:1517:15, 7 March 2011 diff hist −108‎ Practical guide to GW calculations ‎ →‎Recipes
17:1517:15, 7 March 2011 diff hist +98‎ Practical guide to GW calculations ‎ →‎Recipes
15:4115:41, 7 March 2011 diff hist 0‎ Berry phases and finite electric fields ‎ →‎References
11:1211:12, 7 March 2011 diff hist +225‎ LMAXFOCKAE ‎No edit summary
11:0211:02, 7 March 2011 diff hist −8‎ LMAXFOCKAE ‎No edit summary

16:2216:22, 6 March 2011 diff hist −1,509‎ Berry phases and finite electric fields ‎No edit summary
16:0916:09, 6 March 2011 diff hist +143‎ Berry phases and finite electric fields ‎No edit summary
15:3915:39, 6 March 2011 diff hist +6,380‎ Berry phases and finite electric fields ‎No edit summary
15:0215:02, 6 March 2011 diff hist +31‎ Berry phases and finite electric fields ‎No edit summary
15:0215:02, 6 March 2011 diff hist +38‎ Berry phases and finite electric fields ‎No edit summary
14:5814:58, 6 March 2011 diff hist +77‎ Berry phases and finite electric fields ‎No edit summary
14:3514:35, 6 March 2011 diff hist +5,612‎ Berry phases and finite electric fields ‎No edit summary
14:0114:01, 6 March 2011 diff hist +1,006‎ Berry phases and finite electric fields ‎ →‎Berry phase expression for the macroscopic polarization
11:0311:03, 6 March 2011 diff hist +8‎ Berry phases and finite electric fields ‎ →‎Finite electric fields (the PEAD approach)
10:4110:41, 6 March 2011 diff hist +20‎ Berry phases and finite electric fields ‎ →‎Finite electric fields

18:5318:53, 3 March 2011 diff hist +93‎ Berry phases and finite electric fields ‎No edit summary
18:4518:45, 3 March 2011 diff hist +171‎ N Category:Berry phases ‎ Created page with 'All tags and articles that deal with Berry phase calculations and the PEAD are members of this category. ---- Contents Berry phases'
18:4218:42, 3 March 2011 diff hist +198‎ Berry phases and finite electric fields ‎No edit summary
18:3918:39, 3 March 2011 diff hist +78‎ N Berry phases and finite electric fields ‎ Created page with '---- Contents Category:INCAR Category:Berry phases'
18:1718:17, 3 March 2011 diff hist +115‎ Talk:Main Page ‎No edit summary current
12:4312:43, 3 March 2011 diff hist +27‎ Talk:Main Page ‎No edit summary

17:4517:45, 2 March 2011 diff hist +214‎ N Talk:Main Page ‎ Created page with 'We should install the following extensions: * Extension:Collection : allows users to create their own collections of pages (that may be exported as pdf) and maybe * Extension…'
15:0715:07, 2 March 2011 diff hist +4‎ LDAUTYPE ‎No edit summary
13:5613:56, 2 March 2011 diff hist 0‎ LDAUTYPE ‎No edit summary
13:5513:55, 2 March 2011 diff hist +632‎ LDAUTYPE ‎No edit summary
13:5313:53, 2 March 2011 diff hist +32‎ LDAU ‎No edit summary
13:5313:53, 2 March 2011 diff hist 0‎ LDAU ‎No edit summary
13:5313:53, 2 March 2011 diff hist +600‎ LDAU ‎No edit summary
13:4213:42, 2 March 2011 diff hist +400‎ LDAUTYPE ‎No edit summary
13:4213:42, 2 March 2011 diff hist +400‎ LDAUU ‎No edit summary
13:4213:42, 2 March 2011 diff hist +400‎ LDAUJ ‎No edit summary
13:3713:37, 2 March 2011 diff hist 0‎ LEPSILON ‎No edit summary
12:4212:42, 2 March 2011 diff hist +511‎ N LDAUPRINT ‎ Created page with '{{TAGDEF|LDAUPRINT|0 {{!}} 1 {{!}} 2|0}} Description: {{TAG|LDAUPRINT}} controls the verbosity of the L(S)DA+U routines. ---- *{{TAG|LDAUPRINT}}=0: silent. *{{TAG|LDAUPRINT}}=1:…'
12:1512:15, 2 March 2011 diff hist +398‎ N LDAUJ ‎ Created page with '{{TAGDEF|LDAUJ|[real array]|NTYP*0.0}} Description: {{TAG|LDAUJ}} specifies the strength of the effective on-site exchange interactions. ---- '''Mind''': one ''has'' to specify …'
12:1412:14, 2 March 2011 diff hist +397‎ N LDAUU ‎ Created page with '{{TAGDEF|LDAUU|[real array]|NTYP*0.0}} Description: {{TAG|LDAUU}} specifies the strength of the effective on-site Coulomb interactions. ---- '''Mind''': one ''has'' to specify o…'
12:0612:06, 2 March 2011 diff hist +462‎ N LDAUL ‎ Created page with '{{TAGDEF|LDAUL|[integer array]|NTYP*2}} Description: {{TAG|LDAUL}} specifies the ''l''-quantum number for which the on-site interaction is added. ---- For {{TAG|LDAUL}}=-1 no on…'
11:5211:52, 2 March 2011 diff hist 0‎ LDAUTYPE ‎No edit summary
11:5111:51, 2 March 2011 diff hist +495‎ LDAUTYPE ‎No edit summary
11:1111:11, 2 March 2011 diff hist −1‎ LDAUTYPE ‎No edit summary

20:5020:50, 1 March 2011 diff hist 0‎ LDAUTYPE ‎No edit summary
20:4920:49, 1 March 2011 diff hist +37‎ LDAUTYPE ‎No edit summary
20:4720:47, 1 March 2011 diff hist +44‎ LDAUTYPE ‎No edit summary
20:4320:43, 1 March 2011 diff hist −1‎ LDAUTYPE ‎No edit summary
20:4220:42, 1 March 2011 diff hist −2‎ LDAUTYPE ‎No edit summary
20:4020:40, 1 March 2011 diff hist +1,086‎ LDAUTYPE ‎No edit summary
20:2620:26, 1 March 2011 diff hist −1‎ LDAUTYPE ‎No edit summary
20:1820:18, 1 March 2011 diff hist +95‎ N Category:DFT+U ‎ Created page with 'L(S)DA+U related tags and articles. ---- Contents LDA+U'
20:1720:17, 1 March 2011 diff hist +4‎ LDAUTYPE ‎No edit summary
20:1520:15, 1 March 2011 diff hist +2,922‎ LDAUTYPE ‎No edit summary
19:3119:31, 1 March 2011 diff hist −4‎ LDAUTYPE ‎ →‎References
19:3119:31, 1 March 2011 diff hist +1,115‎ N LDAUTYPE ‎ Created page with '{{TAGDEF|LDAUTYPE|1 {{!}} 2 {{!}} 4|2}} Description: {{TAG|LDAUTYPE}} specifies which type of L(S)DA+U approach will be used. ---- *{{TAG|LDAUTYPE}}=1: The rotationally invarian…'
19:1919:19, 1 March 2011 diff hist +294‎ N LDAU ‎ Created page with '{{TAGDEF|LDAU|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LDAU}}=.TRUE. switches on the L(S)DA+U. ---- == Related Tags and Sections == {{TAG|LDAUTYPE}}, {{TAG|LDAUL}}, {{T…'
15:3515:35, 1 March 2011 diff hist +90‎ N Category:Howto ‎ Created page with 'All Howto's will show up here. ---- Contents Howto'

14:4714:47, 28 February 2011 diff hist −13‎ NOMEGAR ‎No edit summary
14:4714:47, 28 February 2011 diff hist −13‎ NOMEGA ‎No edit summary
14:4714:47, 28 February 2011 diff hist −13‎ LSPECTRAL ‎No edit summary
14:4614:46, 28 February 2011 diff hist +113‎ N Category:GW ‎ Created page with 'Tags and articles that deal with the GW routines in VASP. ---- Contents GW'
14:4514:45, 28 February 2011 diff hist −13‎ Practical guide to GW calculations ‎No edit summary
14:4514:45, 28 February 2011 diff hist −3‎ The VASP Manual ‎ →‎Howto's
14:4514:45, 28 February 2011 diff hist +34‎ N Talk:GW ‎ moved Talk:GW to Talk:GW calculations current
14:4514:45, 28 February 2011 diff hist 0‎ m Talk:Practical guide to GW calculations ‎ moved Talk:GW to Talk:GW calculations
14:4514:45, 28 February 2011 diff hist 0‎ m Practical guide to GW calculations ‎ moved GW to GW calculations
12:2812:28, 28 February 2011 diff hist −20‎ The VASP Manual ‎ →‎Howto's
12:2712:27, 28 February 2011 diff hist +1‎ Practical guide to GW calculations ‎No edit summary
12:2312:23, 28 February 2011 diff hist +215‎ Talk:Practical guide to GW calculations ‎No edit summary
12:1712:17, 28 February 2011 diff hist +16‎ Practical guide to GW calculations ‎No edit summary
12:0012:00, 28 February 2011 diff hist −51‎ Practical guide to GW calculations ‎No edit summary
11:4511:45, 28 February 2011 diff hist −2‎ The VASP Manual ‎ →‎Howto's
11:4411:44, 28 February 2011 diff hist 0‎ m Talk:Practical guide to GW calculations ‎ moved Talk:Frequency dependent GW calculations to Talk:GW over redirect: revert
11:4411:44, 28 February 2011 diff hist 0‎ m Practical guide to GW calculations ‎ moved Frequency dependent GW calculations to GW over redirect: revert

12:2212:22, 19 February 2011 diff hist +1‎ LOPTICS ‎No edit summary

15:2915:29, 18 February 2011 diff hist +18‎ LEPSILON ‎No edit summary
15:2515:25, 18 February 2011 diff hist +1,272‎ N LRPA ‎ Created page with '{{TAGDEF|LRPA|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LRPA}}=.TRUE. includes local field effect on the Hartree level only. ---- For {{TAG|LRPA}}=.TRUE. local field eff…'
15:1515:15, 18 February 2011 diff hist +140‎ N Category:Linear response ‎ Created page with 'Tags and articles that deal with the linear response routines in VASP. ---- Contents Linear response'
15:1115:11, 18 February 2011 diff hist +17‎ CSHIFT ‎ →‎Related Tags and Sections
15:1115:11, 18 February 2011 diff hist +1,567‎ N LNABLA ‎ Created page with '{{TAGDEF|LNABLA|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LNABLA}}=.TRUE. evaluates the transversal expression for the frequency dependent dielectric matrix. ---- Usuall…'
15:0515:05, 18 February 2011 diff hist +28‎ LOPTICS ‎No edit summary
14:3814:38, 18 February 2011 diff hist +475‎ CSHIFT ‎No edit summary
14:3614:36, 18 February 2011 diff hist +33‎ LOPTICS ‎No edit summary
14:3614:36, 18 February 2011 diff hist +293‎ N CSHIFT ‎ Created page with '{{TAGDEF|CSHIFT|[real]|0.1}} Description: {{TAG|CSHIFT}} sets the (small) complex shift η in the Kramers-Kronig transformation. ---- == Related Tag…'
14:3114:31, 18 February 2011 diff hist +4‎ LOPTICS ‎ →‎Related Tags and Sections
14:3114:31, 18 February 2011 diff hist +12‎ LOPTICS ‎ →‎Related Tags and Sections
14:2914:29, 18 February 2011 diff hist −4‎ LOPTICS ‎No edit summary
14:2314:23, 18 February 2011 diff hist +75‎ N Talk:LOPTICS ‎ Created page with 'Around the point where "GW" is mentioned we should link to future GW pages.' current
14:2214:22, 18 February 2011 diff hist +8‎ LOPTICS ‎No edit summary
14:2014:20, 18 February 2011 diff hist +2‎ LOPTICS ‎No edit summary
14:2014:20, 18 February 2011 diff hist +2,898‎ N LOPTICS ‎ Created page with '{{TAGDEF|LOPTICS|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LOPTICS}}=.TRUE. calculates the frequency dependent dielectric matrix after the electronic ground state has be…'

15:3215:32, 17 February 2011 diff hist +29‎ IALGO ‎ →‎Miscellaneous
15:1815:18, 17 February 2011 diff hist +1,926‎ LEPSILON ‎No edit summary
15:0215:02, 17 February 2011 diff hist +1,469‎ LEPSILON ‎No edit summary
14:5014:50, 17 February 2011 diff hist +2,210‎ N LEPSILON ‎ Created page with '{{TAGDEF|LEPSILON|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LEPSILON}}=.TRUE. determines the static dielectric matrix, ion-clamped piezoelectric tensor and the Born effe…'
10:2010:20, 17 February 2011 diff hist −6‎ I CONSTRAINED M ‎No edit summary

17:3817:38, 16 February 2011 diff hist +1‎ M CONSTR ‎No edit summary
17:3717:37, 16 February 2011 diff hist +58‎ M CONSTR ‎No edit summary
17:3617:36, 16 February 2011 diff hist +110‎ M CONSTR ‎No edit summary
17:3317:33, 16 February 2011 diff hist 0‎ M CONSTR ‎No edit summary
17:3317:33, 16 February 2011 diff hist +28‎ M CONSTR ‎No edit summary
17:2917:29, 16 February 2011 diff hist +639‎ M CONSTR ‎No edit summary
17:0617:06, 16 February 2011 diff hist +7‎ M CONSTR ‎No edit summary
17:0517:05, 16 February 2011 diff hist +98‎ M CONSTR ‎No edit summary
17:0417:04, 16 February 2011 diff hist +513‎ N LAMBDA ‎ Created page with '{{TAGDEF|LAMBDA|[real]|0}} Description: {{TAG|LAMBDA}} sets the weight with which the penalty terms of the constrained local moment approach enter into the total energy expressi…'
16:5916:59, 16 February 2011 diff hist +311‎ N M CONSTR ‎ Created page with '{{TAGDEF|M_CONSTR|[real array]|none}} Description: {{TAG|M_CONSTR}} specifies the ---- == Related Tags and Sections == {{TAG|I_CONSTRAINED_M}}, {{TAG|LAMBDA}}, {{TAG|RWIGS}}, {…'
16:4716:47, 16 February 2011 diff hist −1‎ I CONSTRAINED M ‎No edit summary
16:4616:46, 16 February 2011 diff hist +625‎ I CONSTRAINED M ‎No edit summary
16:4416:44, 16 February 2011 diff hist +1,972‎ I CONSTRAINED M ‎No edit summary
16:3516:35, 16 February 2011 diff hist +168‎ I CONSTRAINED M ‎No edit summary
16:3216:32, 16 February 2011 diff hist +505‎ I CONSTRAINED M ‎No edit summary
16:2616:26, 16 February 2011 diff hist +1,738‎ I CONSTRAINED M ‎No edit summary
16:0516:05, 16 February 2011 diff hist +52‎ I CONSTRAINED M ‎No edit summary
16:0016:00, 16 February 2011 diff hist +300‎ N I CONSTRAINED M ‎ Created page with '{{TAGDEF|I_CONSTRAINED_M|1 {{!}} 2|none}} Description: {{TAG|I_CONSTRAINED_M}} ---- == Related Tags and Sections == {{TAG|M_CONSTR}}, {{TAG|LAMBDA}}, {{TAG|RWIGS}}, {{TAG|LNONCO…'
15:2515:25, 16 February 2011 diff hist +8‎ RWIGS ‎No edit summary
11:3511:35, 16 February 2011 diff hist −92‎ Talk:EVENONLY ‎ Blanked the page current
11:3411:34, 16 February 2011 diff hist +92‎ N Talk:EVENONLY ‎ Created page with 'This tag does not seem to exist in VASP (I checked). There is a tag EVENONLYGW, however ....'
11:3311:33, 16 February 2011 diff hist +1,867‎ N ODDONLY ‎ Created page with '{{TAGDEF|ODDONLY|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|ODDONLY}}=.TRUE. selects a subset of '''k'''-points for the representation of the Fock exchange potential, wit…'
11:2911:29, 16 February 2011 diff hist −15‎ NKREDZ ‎No edit summary
11:2811:28, 16 February 2011 diff hist −15‎ NKREDY ‎No edit summary
11:2811:28, 16 February 2011 diff hist −15‎ NKREDX ‎No edit summary
11:2711:27, 16 February 2011 diff hist −14‎ NKRED ‎No edit summary
11:2011:20, 16 February 2011 diff hist +6‎ EVENONLY ‎No edit summary
11:2011:20, 16 February 2011 diff hist +1,865‎ N EVENONLY ‎ Created page with '{{TAGDEF|EVENONLY|.TRUE.|.FALSE.|.FALSE.}} Description: {{TAG|EVENONLY}}=.TRUE. selects a subset of '''k'''-points for the representation of the Fock exchange potential, with ''…'

19:4919:49, 15 February 2011 diff hist −2‎ LSORBIT ‎No edit summary
19:4919:49, 15 February 2011 diff hist +147‎ Talk:LSORBIT ‎No edit summary current
19:4619:46, 15 February 2011 diff hist −1,126‎ LSORBIT ‎No edit summary
18:4518:45, 15 February 2011 diff hist −4‎ LSORBIT ‎No edit summary
18:4418:44, 15 February 2011 diff hist +9‎ LSORBIT ‎No edit summary
18:4418:44, 15 February 2011 diff hist +1‎ LSORBIT ‎No edit summary
18:4218:42, 15 February 2011 diff hist −101‎ LSORBIT ‎No edit summary
18:0018:00, 15 February 2011 diff hist −2‎ LSORBIT ‎No edit summary
17:5717:57, 15 February 2011 diff hist +22‎ LSORBIT ‎No edit summary
17:5617:56, 15 February 2011 diff hist +5‎ N Talk:LSORBIT ‎ Created page with 'Cool!'
16:5916:59, 15 February 2011 diff hist +180‎ NKREDZ ‎No edit summary
16:5916:59, 15 February 2011 diff hist +180‎ NKREDY ‎No edit summary
16:5916:59, 15 February 2011 diff hist +180‎ NKREDX ‎No edit summary
16:5916:59, 15 February 2011 diff hist +39‎ NKRED ‎No edit summary
16:5816:58, 15 February 2011 diff hist −2‎ NKRED ‎No edit summary
16:5616:56, 15 February 2011 diff hist −6‎ NKRED ‎No edit summary
16:5416:54, 15 February 2011 diff hist +149‎ NKRED ‎No edit summary
16:4416:44, 15 February 2011 diff hist +1,826‎ N NKREDZ ‎ Created page with '{{TAGDEF|NKREDZ|[integer]|1}} Description: {{TAG|NKREDZ}} specifies a reduction factor for the '''q'''-point grid representation of the exact exchange potential along reciprocal…'
16:4416:44, 15 February 2011 diff hist 0‎ NKREDY ‎No edit summary
16:4416:44, 15 February 2011 diff hist +1,826‎ N NKREDY ‎ Created page with '{{TAGDEF|NKREDY|[integer]|1}} Description: {{TAG|NKREDY}} specifies a reduction factor for the '''q'''-point grid representation of the exact exchange potential along reciprocal…'
16:4316:43, 15 February 2011 diff hist −1‎ NKREDX ‎ →‎Related Tags and Sections
16:4216:42, 15 February 2011 diff hist +57‎ NKRED ‎No edit summary
16:4216:42, 15 February 2011 diff hist +57‎ NKREDX ‎No edit summary
16:4016:40, 15 February 2011 diff hist 0‎ NKREDX ‎No edit summary
16:4016:40, 15 February 2011 diff hist +1,770‎ N NKREDX ‎ Created page with '{{TAGDEF|NKREDX|[integer]|1}} Description: {{TAG|NKREXD}} specifies a reduction factor for the '''q'''-point grid representation of the exact exchange potential along reciprocal…'
16:3416:34, 15 February 2011 diff hist +8‎ LNONCOLLINEAR ‎No edit summary
16:3216:32, 15 February 2011 diff hist +464‎ NKRED ‎No edit summary
16:2316:23, 15 February 2011 diff hist +775‎ NKRED ‎No edit summary
16:1216:12, 15 February 2011 diff hist +484‎ N NKRED ‎ Created page with '{{TAGDEF|NKRED|[integer]|1}} Description: {{TAG|NKRED}} specifies an uniform reduction factor for the '''q'''-point grid representation of the exact exchange potential. ---- == …'
14:3114:31, 15 February 2011 diff hist +911‎ LTHOMAS ‎No edit summary
14:0014:00, 15 February 2011 diff hist +17‎ HFSCREEN ‎ →‎Related Tags and Sections
13:5913:59, 15 February 2011 diff hist +113‎ LTHOMAS ‎No edit summary
13:5513:55, 15 February 2011 diff hist −15‎ LTHOMAS ‎No edit summary
13:5213:52, 15 February 2011 diff hist +462‎ N LTHOMAS ‎ Created page with '{{TAGDEF|LTHOMAS|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LTHOMAS}} ---- == Related Tags and Sections == {{TAG|LHFCALC}}, {{TAG|HFSCREEN}}, [[Hartree-Fock_and_HF/DFT_hy…'
13:4313:43, 15 February 2011 diff hist +14‎ PRECFOCK ‎ →‎Related Tags and Sections
13:4313:43, 15 February 2011 diff hist +1,689‎ PRECFOCK ‎No edit summary
13:3713:37, 15 February 2011 diff hist +194‎ PRECFOCK ‎No edit summary
13:3513:35, 15 February 2011 diff hist +508‎ PRECFOCK ‎No edit summary
13:2913:29, 15 February 2011 diff hist −55‎ PRECFOCK ‎No edit summary
13:2213:22, 15 February 2011 diff hist +493‎ PRECFOCK ‎No edit summary
13:0513:05, 15 February 2011 diff hist +615‎ PRECFOCK ‎No edit summary
12:3312:33, 15 February 2011 diff hist +39‎ PRECFOCK ‎No edit summary
12:2912:29, 15 February 2011 diff hist +59‎ PRECFOCK ‎No edit summary
12:1512:15, 15 February 2011 diff hist +15‎ PRECFOCK ‎ →‎Related Tags and Sections
12:1412:14, 15 February 2011 diff hist +364‎ N PRECFOCK ‎ Created page with '{{TAGDEF|PRECFOCK|Low {{!}} Medium {{!}} Fast {{!}} Normal {{!}} Accurate|Normal}} Description: {{TAG|PRECFOCK}} ---- == Related Tags and Sections == [[Hartree-Fock_and_HF/DFT_h…'
12:0912:09, 15 February 2011 diff hist 0‎ PREC ‎ →‎Related Tags and Sections
12:0812:08, 15 February 2011 diff hist +18‎ PREC ‎ →‎Related Tags and Sections

17:5417:54, 12 February 2011 diff hist +24‎ HFSCREEN ‎No edit summary
17:5317:53, 12 February 2011 diff hist +48‎ HFSCREEN ‎No edit summary
17:5017:50, 12 February 2011 diff hist +24‎ LHFCALC ‎No edit summary
17:4917:49, 12 February 2011 diff hist +24‎ ALDAC ‎No edit summary
17:4917:49, 12 February 2011 diff hist +24‎ AGGAC ‎No edit summary
17:4817:48, 12 February 2011 diff hist +24‎ AGGAX ‎No edit summary
17:4717:47, 12 February 2011 diff hist +24‎ AEXX ‎No edit summary
17:3217:32, 12 February 2011 diff hist +1‎ PREC ‎No edit summary
16:2316:23, 12 February 2011 diff hist −2‎ PREC ‎No edit summary
16:1616:16, 12 February 2011 diff hist +1,164‎ PREC ‎No edit summary
16:0716:07, 12 February 2011 diff hist −15‎ PREC ‎No edit summary
16:0516:05, 12 February 2011 diff hist +1‎ PREC ‎No edit summary
16:0516:05, 12 February 2011 diff hist +2,851‎ PREC ‎No edit summary
15:2415:24, 12 February 2011 diff hist +372‎ PREC ‎No edit summary
15:1715:17, 12 February 2011 diff hist +105‎ PREC ‎No edit summary
15:0915:09, 12 February 2011 diff hist −279‎ PREC ‎No edit summary
15:0815:08, 12 February 2011 diff hist +55‎ Vaspwiki standards ‎No edit summary
15:0015:00, 12 February 2011 diff hist +619‎ Vaspwiki standards ‎No edit summary
13:4113:41, 12 February 2011 diff hist +34‎ PREC ‎No edit summary
13:3713:37, 12 February 2011 diff hist +1,334‎ PREC ‎No edit summary
12:4112:41, 12 February 2011 diff hist +1,677‎ N NGZF ‎ Created page with '{{TAGDEF|NGZF|[integer]|set in accordance with {{TAG|PREC}}, {{TAG|NGZ}}, {{TAG|ENCUT}} and {{TAG|ENAUG}}}} Description: {{TAG|NGZF}} sets the number of grid points in the "fine…'
12:3912:39, 12 February 2011 diff hist +1,678‎ N NGYF ‎ Created page with '{{TAGDEF|NGYF|[integer]|set in accordance with {{TAG|PREC}}, {{TAG|NGY}}, {{TAG|ENCUT}} and {{TAG|ENAUG}}}} Description: {{TAG|NGYF}} sets the number of grid points in the "fine…'
12:3712:37, 12 February 2011 diff hist +426‎ NGZ ‎No edit summary
12:3712:37, 12 February 2011 diff hist +426‎ NGY ‎No edit summary
12:3612:36, 12 February 2011 diff hist −1‎ NGX ‎No edit summary
12:3512:35, 12 February 2011 diff hist +427‎ NGX ‎No edit summary
12:3212:32, 12 February 2011 diff hist +1,677‎ N NGXF ‎ Created page with '{{TAGDEF|NGXF|[integer]|set in accordance with {{TAG|PREC}}, {{TAG|NGX}}, {{TAG|ENCUT}} and {{TAG|ENAUG}}}} Description: {{TAG|NGXF}} sets the number of grid points in the "fine…'
11:4711:47, 12 February 2011 diff hist +38‎ POTIM ‎No edit summary

16:2416:24, 11 February 2011 diff hist 0‎ NFREE ‎No edit summary
16:2316:23, 11 February 2011 diff hist +30‎ NFREE ‎No edit summary
16:1516:15, 11 February 2011 diff hist +639‎ N NGZ ‎ Created page with '{{TAGDEF|NGZ|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}} Description: {{TAG|NGZ}} sets the number of grid points in the FFT-grid along the third lattice ve…'
16:1416:14, 11 February 2011 diff hist +640‎ N NGY ‎ Created page with '{{TAGDEF|NGY|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}} Description: {{TAG|NGY}} sets the number of grid points in the FFT-grid along the second lattice v…'
16:1016:10, 11 February 2011 diff hist +160‎ NGX ‎No edit summary
16:0816:08, 11 February 2011 diff hist +242‎ NGX ‎No edit summary
16:0516:05, 11 February 2011 diff hist +237‎ N NGX ‎ Created page with '{{TAGDEF|NGX|[integer]|set in accordance with {{TAG|PREC}} and {{TAG|ENCUT}}}} Description: {{TAG|NGX}} sets the number of grid points in the FFT-grid along the first lattice ve…'
15:2515:25, 11 February 2011 diff hist −1‎ MAGMOM ‎No edit summary
15:2415:24, 11 February 2011 diff hist −1‎ SPRING ‎No edit summary
15:2215:22, 11 February 2011 diff hist +4‎ SPRING ‎ →‎Related Tags and Sections
15:2115:21, 11 February 2011 diff hist 0‎ SPRING ‎ →‎References
15:2015:20, 11 February 2011 diff hist +52‎ SPRING ‎ →‎References
15:1915:19, 11 February 2011 diff hist +6‎ SPRING ‎No edit summary
15:0815:08, 11 February 2011 diff hist −13‎ LWAVE ‎No edit summary
15:0715:07, 11 February 2011 diff hist −13‎ LCHARG ‎No edit summary

16:1716:17, 10 February 2011 diff hist +9‎ NBLOCK ‎No edit summary
15:2215:22, 10 February 2011 diff hist +3‎ MAGMOM ‎No edit summary
14:5314:53, 10 February 2011 diff hist +1,085‎ BMIX MAG ‎No edit summary
14:5114:51, 10 February 2011 diff hist +1,256‎ AMIX MAG ‎No edit summary
12:1912:19, 10 February 2011 diff hist +650‎ N BMIX MAG ‎ Created page with '{{TAGDEF|BMIX_MAG|[real]|1.0}} Description: {{TAG|BMIX_MAG}} sets the cutoff wave vector for Kerker mixing scheme<ref name="kerker:prb:81"/> ({{TAG|IMIX}}=1 and/or {{TAG|INIMIX}…'
12:1612:16, 10 February 2011 diff hist +382‎ N AMIX MAG ‎ Created page with '{{TAGDEF|AMIX_MAG|[real]|1.6}} Description: {{TAG|AMIX_MAG}} linear mixing parameter for the magnetization density. ---- == Related Tags and Sections == {{TAG|IMIX}}, {{TAG|INI…'

16:4916:49, 9 February 2011 diff hist +983‎ BMIX ‎No edit summary
16:4816:48, 9 February 2011 diff hist +151‎ N Talk:AMIX ‎ Created page with '... either AMIX or BMIX can be optimized ... I think the either/or is wrong, isn't it possible to optimize the Kerker mixer w.r.t. both AMIX and BMIX?' current
16:4616:46, 9 February 2011 diff hist +983‎ AMIX ‎No edit summary
15:3615:36, 9 February 2011 diff hist +52‎ N Talk:MAXMIX ‎ Created page with 'We might really chuck out references to VASP.3.X :-)' current
15:3515:35, 9 February 2011 diff hist +2,401‎ N MAXMIX ‎ Created page with '{{TAGDEF|MAXMIX|[integer]|-45}} Description: {{TAG|MAXMIX}} specifies the maximum number steps stored in Broyden mixer ({{TAG|IMIX}}=4). ---- {{TAG|MAXMIX}} specifies the maximu…'

16:4216:42, 8 February 2011 diff hist +1,084‎ AMIN ‎No edit summary
16:3216:32, 8 February 2011 diff hist −28‎ AMIN ‎No edit summary
16:3016:30, 8 February 2011 diff hist +363‎ N AMIN ‎ Created page with '{{TAGDEF|AMIN|[real]}} {{DEF|AMIN|0.4|if {{TAG|ISPIN}}{{=}}1|0.1|if {{TAG|ISPIN}}{{=}}2}} Description: {{TAG|AMIN}} ---- == Related Tags and Sections == {{TAG|IMIX}}, {{TAG|INIM…'
16:2416:24, 8 February 2011 diff hist +342‎ IMIX ‎No edit summary
16:1516:15, 8 February 2011 diff hist +306‎ MIXPRE ‎No edit summary
16:1416:14, 8 February 2011 diff hist +1,022‎ N WC ‎ Created page with '{{TAGDEF|WC|[real]|1000.}} Description: {{TAG|WC}} specifies the weight factor for each step in Broyden mixing scheme ({{TAG|IMIX}}=4). ---- *{{TAG|WC}}>0 :Set all weights ident…'
15:3115:31, 8 February 2011 diff hist +698‎ MIXPRE ‎No edit summary
15:2615:26, 8 February 2011 diff hist +386‎ N MIXPRE ‎ Created page with '{{TAGDEF|MIXPRE|0 {{!}} 1 {{!}} 2 {{!}} 3|1}} Description: {{TAG|MIXPRE}} specifies the metric in the Broyden mixing scheme({{TAG|IMIX}}=4). ---- == Related Tags and Sections ==…'
15:2415:24, 8 February 2011 diff hist +53‎ Category:Magnetism ‎No edit summary
15:1715:17, 8 February 2011 diff hist +90‎ Talk:ISPIN ‎No edit summary current
15:0715:07, 8 February 2011 diff hist +100‎ N Category:Magnetism ‎ Created page with 'Tags and articles that deal with magnetism: spin-polarized calculations and non-collinear magnetism.'
14:5314:53, 8 February 2011 diff hist +1‎ INIMIX ‎No edit summary
14:5314:53, 8 February 2011 diff hist −1‎ BMIX ‎No edit summary
14:5314:53, 8 February 2011 diff hist +259‎ BMIX ‎No edit summary
14:5214:52, 8 February 2011 diff hist +280‎ INIMIX ‎No edit summary
14:4914:49, 8 February 2011 diff hist +160‎ N Talk:INIMIX ‎ Created page with 'I think the description of INIMIX=2 in the manual was incorrect. It says INIMIX=2 is equal to INIMIX=2 and AMIX=1, which should probably be INIMIX=0 and AMIX=1.' current
14:4714:47, 8 February 2011 diff hist +1,080‎ N INIMIX ‎ Created page with '{{TAGDEF|INIMIX|0 {{!}} 1 {{!}} 2|1}} Description: {{TAG|INIMIX}} determines the functional form of the initial mixing matrix in the Broyden scheme ({{TAG|IMIX}}=4). ---- The in…'
14:1314:13, 8 February 2011 diff hist +11‎ IMIX ‎No edit summary
13:4013:40, 8 February 2011 diff hist +456‎ IMIX ‎No edit summary
10:0510:05, 8 February 2011 diff hist +218‎ IMIX ‎No edit summary

17:4717:47, 7 February 2011 diff hist +2‎ IMIX ‎No edit summary
17:4317:43, 7 February 2011 diff hist +52‎ IMIX ‎No edit summary
17:4217:42, 7 February 2011 diff hist +467‎ IMIX ‎No edit summary
17:3117:31, 7 February 2011 diff hist +842‎ IMIX ‎No edit summary
17:1117:11, 7 February 2011 diff hist −24‎ IMIX ‎No edit summary
17:1017:10, 7 February 2011 diff hist +181‎ N Talk:IMIX ‎ Created page with 'The third eq. in explanation of the Verlet algorith (in the Tschebycheff sec.) looks wrong (\rho_{N+1} on the RHS). It is a literal copy of what is in the VASP manual at the mome…' current
17:0817:08, 7 February 2011 diff hist +514‎ IMIX ‎No edit summary
16:5816:58, 7 February 2011 diff hist +361‎ IMIX ‎No edit summary
16:5016:50, 7 February 2011 diff hist +209‎ IMIX ‎No edit summary
16:4716:47, 7 February 2011 diff hist +200‎ IMIX ‎No edit summary
16:4516:45, 7 February 2011 diff hist +358‎ IMIX ‎No edit summary
16:3816:38, 7 February 2011 diff hist +608‎ N IMIX ‎ Created page with '{{TAGDEF|IMIX|0 {{!}} 1 {{!}} 2 {{!}} 3 {{!}} 4|4}} Description: {{TAG|IMIX}} specifies the type of mixing. ---- *{{TAG|IMIX}}=0 *{{TAG|IMIX}}=1 *{{TAG|IMIX}}=2 *{{TAG|IMIX}}=3 …'
16:3316:33, 7 February 2011 diff hist +594‎ N BMIX ‎ Created page with '{{TAGDEF|BMIX|[real]|1.0}} Description: {{TAG|BMIX}} sets the cutoff wave vector for Kerker mixing scheme<ref name="kerker:prb:81"/> ({{TAG|IMIX}}=1 and/or {{TAG|INIMIX}}=1). --…'
15:4815:48, 7 February 2011 diff hist +471‎ N AMIX ‎ Created page with '{{TAGDEF|AMIX|[real]}} {{DEF|AMIX|0.8|if {{TAG|ISPIN}}{{=}}1 and one uses US-PPs|0.4|if {{TAG|ISPIN}}{{=}}2 and one uses US-PPs|0.4|if one uses PAW datasets}} Description: {{TAG…'

14:4014:40, 4 February 2011 diff hist +736‎ LMAXPAW ‎No edit summary
13:3413:34, 4 February 2011 diff hist +400‎ N LMAXPAW ‎ Created page with '{{TAGDEF|LMAXPAW|[integer]|2''l'' max, where ''l'' max is the maximum angular quantum number of the PAW partial waves in the {{FILE|POTCAR}} file.}} Descri…'
13:1513:15, 4 February 2011 diff hist +116‎ N Category:Projector-augmented-wave method ‎ Created page with 'PAW control tags and articles that discuss the PAW method. ---- Contents PAW'
13:0613:06, 4 February 2011 diff hist +1,205‎ N ADDGRID ‎ Created page with '{{TAGDEF|ADDGRID|.TRUE. {{!}} .FALSE. |.FALSE.}} Description: {{TAG|ADDGRID}} determines whether an additional support grid is used for the evaluation of the augmentation charge…'
12:4912:49, 4 February 2011 diff hist +16‎ LMAXMIX ‎No edit summary
12:2312:23, 4 February 2011 diff hist +53‎ GGA ‎ →‎References
12:2212:22, 4 February 2011 diff hist +53‎ GGA ‎ →‎References
12:2112:21, 4 February 2011 diff hist +86‎ GGA ‎No edit summary
12:1912:19, 4 February 2011 diff hist −4‎ IALGO ‎ →‎References
12:1712:17, 4 February 2011 diff hist −1‎ LREAL ‎ →‎References
12:1712:17, 4 February 2011 diff hist −1‎ Vaspwiki standards ‎ →‎Related Tags and Sections
12:0212:02, 4 February 2011 diff hist +633‎ GGA ‎No edit summary
11:4511:45, 4 February 2011 diff hist +679‎ GGA ‎No edit summary

18:0918:09, 3 February 2011 diff hist +463‎ N GGA ‎ Created page with '{{TAGDEF|GGA|PW {{!}} PB {{!}} LM {{!}} 91 {{!}} PE {{!}} RP {{!}} PS {{!}} AM| type of exchange-correlation in accordance with the {{FILE|POTCAR}} file}} Description: {{TAG|GGA…'
13:0513:05, 3 February 2011 diff hist +516‎ EDIFFG ‎No edit summary
13:0313:03, 3 February 2011 diff hist +139‎ N EDIFFG ‎ Created page with '{{TAGDEF|EDIFFG|[real]|{{TAG|EDIFF}}×10}} Description: {{TAG|EDIFFG}} ... ---- ---- Contents Category:INCAR'
11:4011:40, 3 February 2011 diff hist +610‎ Vaspwiki standards ‎No edit summary
11:2711:27, 3 February 2011 diff hist +1‎ Vaspwiki standards ‎No edit summary
11:2011:20, 3 February 2011 diff hist +882‎ Vaspwiki standards ‎No edit summary
11:1311:13, 3 February 2011 diff hist +212‎ Vaspwiki standards ‎No edit summary
11:1011:10, 3 February 2011 diff hist +1,646‎ N Vaspwiki standards ‎ Created page with '*You might start a page on the INCAR-tag "tagname" as follows <pre>{{TAGDEF|TAGNAME|val1 [{{!}} val2 {{!}} val3 {{!}} .. ] [|default] }}</pre> :Examples: # <pre>{{TAGDEF|NELM|[…'

17:0917:09, 2 February 2011 diff hist +51‎ Talk:Specific hybrid functionals ‎No edit summary current
16:5616:56, 2 February 2011 diff hist +61‎ HFSCREEN ‎No edit summary
16:4516:45, 2 February 2011 diff hist +37‎ Talk:HFSCREEN ‎No edit summary current
16:4516:45, 2 February 2011 diff hist +176‎ N Talk:HFSCREEN ‎ Created page with 'I propose we create a separate section with the theory and equations for "range separated hybrid functionals". The link is already inserted in the text of the HFSCREEN article.'
16:4216:42, 2 February 2011 diff hist +61‎ N Talk:Specific hybrid functionals ‎ Created page with 'I'm not sure about HFSCREEN = 0.3 for HSE03. Is this correct?'
16:3816:38, 2 February 2011 diff hist +23‎ HFSCREEN ‎No edit summary
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…'

21:5221:52, 1 February 2011 diff hist +20‎ LMAXFOCK ‎ →‎Related Tags and Sections

29 March 2011

28 March 2011

27 March 2011

26 March 2011

25 March 2011

21 March 2011

20 March 2011

19 March 2011

14 March 2011

12 March 2011

11 March 2011

10 March 2011

9 March 2011

8 March 2011

7 March 2011

6 March 2011

3 March 2011

2 March 2011

1 March 2011

28 February 2011

19 February 2011

18 February 2011

17 February 2011

16 February 2011

15 February 2011

12 February 2011

11 February 2011

10 February 2011

9 February 2011

8 February 2011

7 February 2011

4 February 2011

3 February 2011

2 February 2011

1 February 2011