User contributions for Mmars

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

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

00:1600:16, 1 June 2011 diff hist +4‎ SAXIS ‎No edit summary
00:1400:14, 1 June 2011 diff hist +5,739‎ SAXIS ‎No edit summary
00:0800:08, 1 June 2011 diff hist +81‎ LSORBIT ‎No edit summary

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

02:2802:28, 26 May 2011 diff hist +1‎ ISMEAR ‎No edit summary
02:2802:28, 26 May 2011 diff hist +1‎ FERWE ‎No edit summary
02:2802:28, 26 May 2011 diff hist +1‎ FERDO ‎No edit summary

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

14:0614:06, 24 May 2011 diff hist −1‎ SIGMA ‎No edit summary

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

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

09:0909:09, 7 April 2011 diff hist −11‎ LWRITE MMN AMN ‎No edit summary

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

14:2314:23, 5 April 2011 diff hist −22‎ LWANNIER90 ‎No edit summary
14:1814:18, 5 April 2011 diff hist +166‎ LWANNIER90 ‎No edit summary
14:1014:10, 5 April 2011 diff hist +16‎ LWANNIER90 ‎No edit summary
14:0914:09, 5 April 2011 diff hist +200‎ LWANNIER90 ‎No edit summary
14:0614:06, 5 April 2011 diff hist +2‎ LWANNIER90 ‎No edit summary
11:3911:39, 5 April 2011 diff hist 0‎ LWANNIER90 ‎No edit summary
11:3911:39, 5 April 2011 diff hist −35‎ LWANNIER90 ‎No edit summary
11:3811:38, 5 April 2011 diff hist +7‎ LWANNIER90 ‎No edit summary
11:3811:38, 5 April 2011 diff hist +35‎ LWANNIER90 ‎No edit summary
11:3611:36, 5 April 2011 diff hist +1‎ LWANNIER90 ‎No edit summary
11:3511:35, 5 April 2011 diff hist +2,124‎ LWANNIER90 ‎No edit summary
10:5610:56, 5 April 2011 diff hist +449‎ LWANNIER90 ‎No edit summary
10:4610:46, 5 April 2011 diff hist +116‎ LWANNIER90 ‎No edit summary
10:4310:43, 5 April 2011 diff hist +160‎ LWANNIER90 ‎No edit summary
10:4010:40, 5 April 2011 diff hist +290‎ LWANNIER90 ‎No edit summary
10:3310:33, 5 April 2011 diff hist +39‎ N LWANNIER90 ‎ Created page with '{{TAGDEF|LWANNIER90|[logical]|.FALSE.}}'

23:4523:45, 29 March 2011 diff hist +940‎ N EBREAK ‎ Created page with '{{TAGDEF|EBREAK|[real]|{{TAG|EDIFF}}/{{TAG|NBANDS}}/4}} Description: {{TAG|EBREAK}} specifies an absolute stopping criterion for the optimization of an eigenvalue. ---- The tags…'
23:4123:41, 29 March 2011 diff hist −16‎ DEPER ‎ →‎Related Tags and Sections
23:3923:39, 29 March 2011 diff hist +4‎ DEPER ‎No edit summary
23:3823:38, 29 March 2011 diff hist +1,010‎ N DEPER ‎ Created page with '{{TAGDEF|DEPER|[real]|0.3}} Description: {{TAG|DEPER}} specifies a relative stopping criterion for optimization of an eigenvalue. ---- The tags {{TAG|DEPER}}, {{TAG|WEIMIN}}, an…'
23:3423:34, 29 March 2011 diff hist −21‎ WEIMIN ‎No edit summary
23:3223:32, 29 March 2011 diff hist +884‎ WEIMIN ‎No edit summary
23:2723:27, 29 March 2011 diff hist +354‎ N WEIMIN ‎ Created page with '{{TAGDEF|WEIMIN|[real]}} {{DEF|WEIMIN|0.001|for {{TAG|IBRION}}≥0|0|for {{TAG|IBRION}}{{=}}−1}} Description: {{TAG|WEIMIN}} specifies the maximum weight for a band to be…'
23:1823:18, 29 March 2011 diff hist −1‎ NSIM ‎ →‎Related Tags and Sections
23:1823:18, 29 March 2011 diff hist −1‎ NDAV ‎No edit summary
23:1723:17, 29 March 2011 diff hist +251‎ N NDAV ‎ Created page with '{{TAGDEF|NDAV|[integer]|4}} Description: {{TAG|NDAV}} sets the maximum number of iterative steps per bands per RMM-DIIS step ({{TAG|IALGO}}=4X). ---- == Related Tags and Section…'
23:0823:08, 29 March 2011 diff hist +1‎ NSIM ‎No edit summary
23:0823:08, 29 March 2011 diff hist +725‎ N NSIM ‎ Created page with '{{TAGDEF|NSIM|[integer]|4}} Description: {{TAG|NSIM}} sets the number of band that are optimized simultaneously by the RMM-DIIS algorithm. ---- The RMM-DIIS algorithm ({{TAG|IAL…'
22:5422:54, 29 March 2011 diff hist 0‎ NFREE ‎No edit summary
22:5322:53, 29 March 2011 diff hist +18‎ NFREE ‎No edit summary
22:5222:52, 29 March 2011 diff hist −7‎ NFREE ‎No edit summary
22:5122:51, 29 March 2011 diff hist −8‎ NFREE ‎No edit summary
22:4922:49, 29 March 2011 diff hist −1‎ SPRING ‎No edit summary
22:4822:48, 29 March 2011 diff hist +2‎ NBLOCK ‎No edit summary
22:4722:47, 29 March 2011 diff hist +10‎ KBLOCK ‎No edit summary
22:4722:47, 29 March 2011 diff hist −4‎ NBLOCK ‎No edit summary
22:4722:47, 29 March 2011 diff hist +4‎ NBLOCK ‎ →‎Related Tags and Sections
22:4522:45, 29 March 2011 diff hist −10‎ KBLOCK ‎No edit summary
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''', |∇<sub>'''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

5 June 2012

19 July 2011

1 June 2011

31 May 2011

26 May 2011

25 May 2011

24 May 2011

23 May 2011

22 May 2011

7 April 2011

6 April 2011

5 April 2011

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