User contributions for Vaspmaster
3 December 2012
- 19:0319:03, 3 December 2012 diff hist +53 Category:INCAR No edit summary
- 18:5118:51, 3 December 2012 diff hist 0 LHYPERFINE No edit summary
- 18:5018:50, 3 December 2012 diff hist +2,826 LHYPERFINE No edit summary
- 18:4018:40, 3 December 2012 diff hist +2,257 LHYPERFINE No edit summary
- 18:2018:20, 3 December 2012 diff hist +29 LHYPERFINE No edit summary
- 18:1918:19, 3 December 2012 diff hist +56 LHYPERFINE No edit summary
- 18:1718:17, 3 December 2012 diff hist +172 N LHYPERFINE Created page with '{{TAGDEF|LKPROJ|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: ---- == Related Tags and Sections == {{TAG|NGYROMAG}} ---- Contents Category:INCAR'
- 15:5215:52, 3 December 2012 diff hist +98 LKPROJ No edit summary
- 15:4615:46, 3 December 2012 diff hist −25 LKPROJ No edit summary
- 15:4515:45, 3 December 2012 diff hist +47 PRJCAR No edit summary
- 15:4515:45, 3 December 2012 diff hist −1 PRJCAR No edit summary
- 15:4115:41, 3 December 2012 diff hist +28 PRJCAR No edit summary
- 15:3615:36, 3 December 2012 diff hist +41 LKPROJ No edit summary
- 15:3515:35, 3 December 2012 diff hist +329 LKPROJ No edit summary
- 15:2715:27, 3 December 2012 diff hist +41 PRJCAR No edit summary
- 15:2615:26, 3 December 2012 diff hist +68 PRJCAR No edit summary
- 15:2415:24, 3 December 2012 diff hist −2 LKPROJ No edit summary
- 15:1615:16, 3 December 2012 diff hist +40 PRJCAR No edit summary
- 15:1515:15, 3 December 2012 diff hist +1,150 PRJCAR No edit summary
- 15:0015:00, 3 December 2012 diff hist +87 N PRJCAR Created page with 'The PRJCAR file ---- Contents Category:VASPCategory:Files'
- 14:5914:59, 3 December 2012 diff hist +121 LKPROJ No edit summary
- 13:3813:38, 3 December 2012 diff hist +221 LKPROJ No edit summary
- 13:3313:33, 3 December 2012 diff hist +1,158 LKPROJ No edit summary
- 12:5912:59, 3 December 2012 diff hist +390 N LKPROJ Created page with '{{TAGDEF|LKPROJ|.TRUE. {{!}} .FALSE. | .FALSE.}} Description: switches on the '''k'''-point projection scheme. ---- For {{TAG|LKPROJ}}=.TRUE., VASP will project the orbitals ont…'
26 September 2012
- 14:0414:04, 26 September 2012 diff hist −8 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:3113:31, 26 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 13:3013:30, 26 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 13:2513:25, 26 September 2012 diff hist +91 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 13:1813:18, 26 September 2012 diff hist −595 Bandstructure of SrVO3 in GW →The GW calculation
- 13:1813:18, 26 September 2012 diff hist −70 Bandstructure of SrVO3 in GW →The GW calculation
- 13:1513:15, 26 September 2012 diff hist +65 Bandstructure of SrVO3 in GW No edit summary
- 13:1413:14, 26 September 2012 diff hist +530 Bandstructure of SrVO3 in GW →The GW calculation
- 12:0512:05, 26 September 2012 diff hist +70 Bandstructure of SrVO3 in GW →The GW calculation
- 12:0312:03, 26 September 2012 diff hist −874 Bandstructure of SrVO3 in GW No edit summary
25 September 2012
- 21:3221:32, 25 September 2012 diff hist 0 NCORE No edit summary
- 21:3221:32, 25 September 2012 diff hist −36 NPAR No edit summary
- 21:3121:31, 25 September 2012 diff hist −36 NCORE No edit summary
- 21:3121:31, 25 September 2012 diff hist +482 KPAR No edit summary
- 21:2821:28, 25 September 2012 diff hist +48 NPAR No edit summary
- 21:2321:23, 25 September 2012 diff hist +28 NSIM No edit summary
- 21:2221:22, 25 September 2012 diff hist +16 KPAR No edit summary
- 21:2121:21, 25 September 2012 diff hist +2,022 NPAR No edit summary
- 21:1821:18, 25 September 2012 diff hist +1 NCORE No edit summary
- 21:1721:17, 25 September 2012 diff hist +138 NCORE No edit summary
- 21:1421:14, 25 September 2012 diff hist +1,883 NCORE No edit summary
- 21:0421:04, 25 September 2012 diff hist +14 KPAR No edit summary
- 21:0421:04, 25 September 2012 diff hist +14 NPAR No edit summary
- 21:0421:04, 25 September 2012 diff hist +14 NCORE No edit summary
- 21:0021:00, 25 September 2012 diff hist +10 NPAR No edit summary
- 20:5820:58, 25 September 2012 diff hist +2 NPAR No edit summary
- 20:5820:58, 25 September 2012 diff hist +1 NPAR No edit summary
- 20:5820:58, 25 September 2012 diff hist +2,551 N NPAR Created page with '{{TAGDEF|NPAR|[integer]|number of cores}} Description: {{TAG|NPAR}} determines the number of bands that are treated in parallel. ---- VASP currently offers parallelisation (an…'
- 20:5120:51, 25 September 2012 diff hist −1 NCORE No edit summary
- 20:5020:50, 25 September 2012 diff hist −14 NCORE No edit summary
- 20:5020:50, 25 September 2012 diff hist +870 NCORE No edit summary
- 20:4920:49, 25 September 2012 diff hist −14 NCORE No edit summary
- 20:3820:38, 25 September 2012 diff hist +1 NCORE No edit summary
- 20:3720:37, 25 September 2012 diff hist −1 NCORE No edit summary
- 20:3620:36, 25 September 2012 diff hist +139 NCORE No edit summary
- 20:2520:25, 25 September 2012 diff hist +805 NCORE No edit summary
- 20:1320:13, 25 September 2012 diff hist +13 NCORE No edit summary
- 20:1320:13, 25 September 2012 diff hist +537 NCORE No edit summary
- 20:0820:08, 25 September 2012 diff hist +29 NCORE No edit summary
- 20:0620:06, 25 September 2012 diff hist +29 KPAR No edit summary
- 20:0520:05, 25 September 2012 diff hist 0 NCORE →Related Tags and Sections
- 20:0520:05, 25 September 2012 diff hist +8 KPAR No edit summary
- 20:0420:04, 25 September 2012 diff hist +300 N NCORE Created page with '{{TAGDEF|NCORE|[integer]|1 }} Description: {{TAG|NCORE}} determines the number of '''k'''-points that are to be treated in parallel. ---- == Related Tags and Sections == {{T…'
- 19:5719:57, 25 September 2012 diff hist −1 KPAR No edit summary
- 19:5719:57, 25 September 2012 diff hist +36 KPAR No edit summary
- 19:5219:52, 25 September 2012 diff hist +28 KPAR No edit summary
- 19:5019:50, 25 September 2012 diff hist +644 KPAR No edit summary
- 19:4619:46, 25 September 2012 diff hist +192 N KPAR Created page with '{{TAGDEF|KPAR|[integer]|1 }} Description: {{TAG|KPAR}} ---- == Related Tags and Sections == {{TAG|NCORE}}, {{TAG|NPAR}}, {{TAG|LPLANE}} ---- Contents [[Ca…'
21 September 2012
- 14:0814:08, 21 September 2012 diff hist +20 MediaWiki:Sitenotice No edit summary
- 14:0714:07, 21 September 2012 diff hist +1 The VASP Manual →Support
- 13:0713:07, 21 September 2012 diff hist −195 The VASP Manual No edit summary
- 13:0613:06, 21 September 2012 diff hist +1 The VASP Manual →Support
- 13:0513:05, 21 September 2012 diff hist +256 The VASP Manual →Support
20 September 2012
- 21:0621:06, 20 September 2012 diff hist +3 The VASP Manual →Further reading and additional documentation
- 20:4220:42, 20 September 2012 diff hist +1 MediaWiki:Sitenotice No edit summary
- 20:3820:38, 20 September 2012 diff hist +127 MediaWiki:Sitenotice No edit summary
- 20:3620:36, 20 September 2012 diff hist +3 N MediaWiki:Sitenotice Created page with 'hoi'
- 20:3320:33, 20 September 2012 diff hist +29 N Main page Redirected page to The VASP Manual current
- 20:2520:25, 20 September 2012 diff hist −10 MediaWiki:Mainpage No edit summary current
- 20:2320:23, 20 September 2012 diff hist +19 N MediaWiki:Mainpage Created page with 'The_VASP_Manual'
- 19:1719:17, 20 September 2012 diff hist +46 The VASP Manual No edit summary
- 19:1619:16, 20 September 2012 diff hist +190 The VASP Manual No edit summary
- 19:0619:06, 20 September 2012 diff hist +1 The VASP Manual No edit summary
- 19:0619:06, 20 September 2012 diff hist +194 The VASP Manual No edit summary
- 14:1414:14, 20 September 2012 diff hist +75 Bandstructure of SrVO3 in GW No edit summary
- 11:3711:37, 20 September 2012 diff hist +284 Bandstructure of SrVO3 in GW No edit summary
- 11:3211:32, 20 September 2012 diff hist +589 Bandstructure of SrVO3 in GW No edit summary
- 10:5510:55, 20 September 2012 diff hist +223 Bandstructure of SrVO3 in GW No edit summary
18 September 2012
- 17:0017:00, 18 September 2012 diff hist −18 Bandstructure of SrVO3 in GW No edit summary
- 16:1516:15, 18 September 2012 diff hist +101 Bandstructure of SrVO3 in GW No edit summary
12 September 2012
- 19:1019:10, 12 September 2012 diff hist +80 N Talk:Bandstructure of SrVO3 in GW Created page with 'Should we add a "practical issue" concerning the OMP_NUM_THREADS in the .bashrc?' current
- 19:0719:07, 12 September 2012 diff hist +2 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 19:0719:07, 12 September 2012 diff hist −2 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 18:5718:57, 12 September 2012 diff hist +1 Bandstructure of SrVO3 in GW No edit summary
- 18:5318:53, 12 September 2012 diff hist +1 Bandstructure of SrVO3 in GW No edit summary
- 18:5318:53, 12 September 2012 diff hist +67 Bandstructure of SrVO3 in GW No edit summary
- 18:5018:50, 12 September 2012 diff hist +63 Bandstructure of SrVO3 in GW →A comparison to the HSE hybrid functional
- 18:2118:21, 12 September 2012 diff hist −4 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 18:2118:21, 12 September 2012 diff hist +5 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 18:0918:09, 12 September 2012 diff hist +2 Bandstructure of SrVO3 in GW No edit summary
- 18:0518:05, 12 September 2012 diff hist −1 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 18:0418:04, 12 September 2012 diff hist −21 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 17:4217:42, 12 September 2012 diff hist +64 Bandstructure of SrVO3 in GW →Download
- 17:2217:22, 12 September 2012 diff hist +24 Bandstructure of SrVO3 in GW →A comparison to the HSE hybrid functional
- 17:2117:21, 12 September 2012 diff hist +269 Bandstructure of SrVO3 in GW →A comparison to the HSE hybrid functional
- 17:1817:18, 12 September 2012 diff hist +41 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:5116:51, 12 September 2012 diff hist +3 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:5016:50, 12 September 2012 diff hist +163 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:4816:48, 12 September 2012 diff hist +18 Bandstructure of SrVO3 in GW →Obtain DFT virtual orbitals
- 16:4716:47, 12 September 2012 diff hist +221 Bandstructure of SrVO3 in GW →Obtain DFT virtual orbitals
- 16:4616:46, 12 September 2012 diff hist +74 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:4316:43, 12 September 2012 diff hist +1,090 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 16:3916:39, 12 September 2012 diff hist +88 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:3816:38, 12 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →The GW calculation
- 16:3816:38, 12 September 2012 diff hist +328 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:3716:37, 12 September 2012 diff hist +398 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 16:3516:35, 12 September 2012 diff hist +57 Bandstructure of SrVO3 in GW No edit summary
- 16:3416:34, 12 September 2012 diff hist +10 Bandstructure of SrVO3 in GW →A comparison to HSE
- 16:3216:32, 12 September 2012 diff hist +28 Bandstructure of SrVO3 in GW No edit summary
- 15:5415:54, 12 September 2012 diff hist −6 Bandstructure of SrVO3 in GW No edit summary
- 15:5315:53, 12 September 2012 diff hist +428 Bandstructure of SrVO3 in GW No edit summary
- 15:3915:39, 12 September 2012 diff hist +5 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 15:3915:39, 12 September 2012 diff hist +24 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 15:3515:35, 12 September 2012 diff hist −1 Bandstructure of SrVO3 in GW →A more accurate GW calculation
- 15:3415:34, 12 September 2012 diff hist +332 Bandstructure of SrVO3 in GW No edit summary
- 15:2715:27, 12 September 2012 diff hist +330 Bandstructure of SrVO3 in GW No edit summary
- 15:2515:25, 12 September 2012 diff hist +152 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 15:2215:22, 12 September 2012 diff hist −250 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 15:2115:21, 12 September 2012 diff hist +579 Bandstructure of SrVO3 in GW No edit summary
- 15:1815:18, 12 September 2012 diff hist +20 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 15:1615:16, 12 September 2012 diff hist +103 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 15:1415:14, 12 September 2012 diff hist +306 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 14:2614:26, 12 September 2012 diff hist +13 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 14:2514:25, 12 September 2012 diff hist −83 Bandstructure of SrVO3 in GW →The GW calculation
- 14:2414:24, 12 September 2012 diff hist +169 Bandstructure of SrVO3 in GW No edit summary
- 14:2214:22, 12 September 2012 diff hist +2 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 14:2214:22, 12 September 2012 diff hist −1 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 14:2114:21, 12 September 2012 diff hist +319 Bandstructure of SrVO3 in GW No edit summary
- 14:1714:17, 12 September 2012 diff hist +503 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:3513:35, 12 September 2012 diff hist +1 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:3413:34, 12 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →Obtain DFT virtual orbitals
- 13:3413:34, 12 September 2012 diff hist +67 Bandstructure of SrVO3 in GW →Analysis of the DOS
- 13:3113:31, 12 September 2012 diff hist +16 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:3013:30, 12 September 2012 diff hist +94 Bandstructure of SrVO3 in GW No edit summary
- 13:2813:28, 12 September 2012 diff hist +33 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:2513:25, 12 September 2012 diff hist −2 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 13:2513:25, 12 September 2012 diff hist +907 Bandstructure of SrVO3 in GW No edit summary
- 10:4910:49, 12 September 2012 diff hist +19 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 10:3810:38, 12 September 2012 diff hist +104 Bandstructure of SrVO3 in GW →Bandstructure using WANNIER90
- 10:1610:16, 12 September 2012 diff hist +69 Bandstructure of SrVO3 in GW No edit summary
- 10:1510:15, 12 September 2012 diff hist +777 Bandstructure of SrVO3 in GW No edit summary
- 10:1410:14, 12 September 2012 diff hist +470 Bandstructure of SrVO3 in GW →Obtain DFT virtual orbitals
11 September 2012
- 19:2819:28, 11 September 2012 diff hist +152 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 19:2619:26, 11 September 2012 diff hist +48 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 19:2319:23, 11 September 2012 diff hist +768 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 19:1719:17, 11 September 2012 diff hist +108 Bandstructure of SrVO3 in GW →The DFT groundstate calculation
- 18:4418:44, 11 September 2012 diff hist +216 Bandstructure of SrVO3 in GW No edit summary
- 18:0518:05, 11 September 2012 diff hist +452 Bandstructure of SrVO3 in GW No edit summary
- 17:5717:57, 11 September 2012 diff hist −26 Bandstructure of Si in GW (VASP2WANNIER90) No edit summary
- 17:4717:47, 11 September 2012 diff hist +234 N Bandstructure of SrVO3 in GW Created page with '== The DFT groundstate calculation == === Analysis of the DOS === === Bandstructure using WANNIER90 === == Obtain DFT virtual orbitals == == The GW calculation == === Analys…'
- 17:2617:26, 11 September 2012 diff hist 0 ENCUT No edit summary
- 17:2617:26, 11 September 2012 diff hist −1 ENCUT No edit summary
- 17:2617:26, 11 September 2012 diff hist −40 ENCUT No edit summary
- 17:2117:21, 11 September 2012 diff hist −2 ENCUT No edit summary
- 17:2117:21, 11 September 2012 diff hist +23 ENCUT No edit summary
- 17:1717:17, 11 September 2012 diff hist +19 N ENMAX moved ENMAX to ENCUT current
- 17:1717:17, 11 September 2012 diff hist 0 m ENCUT moved ENMAX to ENCUT
3 September 2012
- 13:5713:57, 3 September 2012 diff hist +196 N Talk:Monopole Dipole and Quadrupole Corrections Created page with 'The description of the tags is too short, and in several cases not correct. Probably this page should basically duplicate the corresponding manual section completely. References…'
- 13:5213:52, 3 September 2012 diff hist +80 DIPOL No edit summary
- 13:0313:03, 3 September 2012 diff hist +322 DIPOL No edit summary
- 12:5012:50, 3 September 2012 diff hist +197 Monopole Dipole and Quadrupole Corrections No edit summary
- 12:4812:48, 3 September 2012 diff hist +71 DIPOL No edit summary
- 12:4512:45, 3 September 2012 diff hist +95 DIPOL →Related Tags and Sections
- 12:4412:44, 3 September 2012 diff hist −40 DIPOL No edit summary
- 12:4312:43, 3 September 2012 diff hist 0 DIPOL No edit summary
- 12:4112:41, 3 September 2012 diff hist +66 DIPOL No edit summary
13 June 2012
- 12:1012:10, 13 June 2012 diff hist +30 Bandgap of Si in GW →Step 1: a DFT groundstate calculation
- 12:1012:10, 13 June 2012 diff hist +206 Bandgap of Si in GW →Beyond G0W0: GW0
- 12:0612:06, 13 June 2012 diff hist +60 Bandgap of Si in GW →Step 1: a DFT groundstate calculation
9 June 2012
- 22:4022:40, 9 June 2012 diff hist +14 Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation No edit summary
- 22:3822:38, 9 June 2012 diff hist +123 Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation No edit summary
- 22:2722:27, 9 June 2012 diff hist −5 Collective jumps of a Pt adatom on fcc-Pt (001): Nudged Elastic Band Calculation No edit summary
- 17:0317:03, 9 June 2012 diff hist −4 Bandstructure of Si in GW (VASP2WANNIER90) No edit summary
8 June 2012
- 17:2017:20, 8 June 2012 diff hist 0 Si bandstructure →Download
7 June 2012
- 17:2017:20, 7 June 2012 diff hist +97 N Talk:Dielectric properties of SiC Created page with 'Should we include something on the description of dielectric properties using hybrid functionals?' current
- 17:1817:18, 7 June 2012 diff hist +68 N Talk:Bandgap of Si in GW Created page with 'Do we want to include something on single-shot GW starting from HSE?' current
- 17:1117:11, 7 June 2012 diff hist +73 Bandgap of Si in GW No edit summary
- 17:0917:09, 7 June 2012 diff hist +150 Bandgap of Si in GW No edit summary
- 16:5216:52, 7 June 2012 diff hist +87 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:5116:51, 7 June 2012 diff hist +3,464 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:4816:48, 7 June 2012 diff hist −6 Bandgap of Si in GW No edit summary
- 16:3816:38, 7 June 2012 diff hist +29 Bandgap of Si in GW →Beyond the random-phase-approximation
- 16:3616:36, 7 June 2012 diff hist +257 Bandgap of Si in GW No edit summary
- 16:3416:34, 7 June 2012 diff hist +241 Bandgap of Si in GW →Beyond the random-phase-approximation
- 16:3016:30, 7 June 2012 diff hist +2 Bandgap of Si in GW No edit summary
- 16:2916:29, 7 June 2012 diff hist −6 Bandgap of Si in GW →Beyond G0W0: GW0
- 16:2816:28, 7 June 2012 diff hist +47 Bandgap of Si in GW No edit summary
- 16:2616:26, 7 June 2012 diff hist +91 Bandgap of Si in GW →Beyond G0W0: GW0
- 16:2416:24, 7 June 2012 diff hist +14 Bandgap of Si in GW →Beyond G0W0: GW0
- 16:2416:24, 7 June 2012 diff hist +305 Bandgap of Si in GW →Beyond G0W0: GW0
- 16:2016:20, 7 June 2012 diff hist +1 Bandgap of Si in GW →Step: obtain DFT virtual orbitals
- 16:2016:20, 7 June 2012 diff hist +398 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:1316:13, 7 June 2012 diff hist −1 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:1216:12, 7 June 2012 diff hist +45 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:0916:09, 7 June 2012 diff hist +483 Bandgap of Si in GW →Step 3: the actual GW calculation
- 16:0816:08, 7 June 2012 diff hist +141 Bandgap of Si in GW No edit summary
- 16:0616:06, 7 June 2012 diff hist +394 Bandgap of Si in GW No edit summary
- 16:0016:00, 7 June 2012 diff hist +123 Bandgap of Si in GW →Step: obtain DFT virtual orbitals
- 15:5715:57, 7 June 2012 diff hist +33 Dielectric properties of SiC →Including local field effects
- 15:5715:57, 7 June 2012 diff hist +23 Dielectric properties of SiC →Including local field effects
- 15:5515:55, 7 June 2012 diff hist +15 Dielectric properties of SiC →Including local field effects
- 15:5315:53, 7 June 2012 diff hist +384 Bandgap of Si in GW No edit summary
- 15:3815:38, 7 June 2012 diff hist +116 Bandgap of Si in GW No edit summary
- 15:3415:34, 7 June 2012 diff hist +145 Bandgap of Si in GW No edit summary
- 15:0115:01, 7 June 2012 diff hist +368 N Bandgap of Si in GW Created page with 'Description: calculation of the bandgap of Si using various flavours of GW. ---- *INCAR <pre> </pre> *KPOINTS <pre> </pre> *POSCAR <pre> </pre> == Download == [http://www.…'
- 14:4414:44, 7 June 2012 diff hist +500 N Dielectric properties of Si Created page with 'Description: the static and frequency dependent dielectric properties of Si. ---- Please have a look at the example on [[Dielectric_properties_of_SiC|calculation of the static a…'
- 14:4014:40, 7 June 2012 diff hist +12,798 N Dielectric properties of SiC Created page with 'Description: the static and frequency dependent dielectric properties of SiC. ---- == Static dielectric properties == === Density functional perturbation theory === Let us sta…'
6 June 2012
- 17:4117:41, 6 June 2012 diff hist +4 H2O vibration No edit summary
- 17:3917:39, 6 June 2012 diff hist +4 H2O vibration No edit summary
5 June 2012
- 14:1514:15, 5 June 2012 diff hist 0 Fcc Si bandstructure No edit summary
4 June 2012
- 18:0918:09, 4 June 2012 diff hist +18 Fcc Ni DOS No edit summary
- 18:0818:08, 4 June 2012 diff hist +10 Fcc Ni No edit summary
- 18:0718:07, 4 June 2012 diff hist +32 Cd Si relaxation No edit summary
- 18:0618:06, 4 June 2012 diff hist +20 Beta-tin Si No edit summary
- 18:0618:06, 4 June 2012 diff hist +34 Cd Si volume relaxation No edit summary
- 18:0518:05, 4 June 2012 diff hist +18 Cd Si No edit summary
- 18:0518:05, 4 June 2012 diff hist +20 Fcc Si bandstructure No edit summary
- 18:0418:04, 4 June 2012 diff hist +18 Fcc Si DOS No edit summary
- 18:0418:04, 4 June 2012 diff hist +10 Fcc Si No edit summary
- 17:4817:48, 4 June 2012 diff hist +1,025 N Fcc Ni DOS Created page with '*INCAR SYSTEM = fcc Ni ISTART = 0 ; ICHARG=2 ENCUT = 270 ISMEAR = -5 LORBIT=11 ISPIN=2 MAGMOM = 1 *KPOINTS k-points 0 Monkhorst Pack 11 11 11 0 0…'
- 17:4517:45, 4 June 2012 diff hist +1,410 N Fcc Ni Created page with 'Description: fcc Ni (a spinpolarized metal). The bash-script <tt>loop.sh</tt> runs fcc Ni at several different lattice constants (3.0-3.9 Å) and collects free energy versus latt…'
- 17:3817:38, 4 June 2012 diff hist +629 N Cd Si relaxation Created page with 'Description: relax the internal coordinates of a perturbed cd Si structure. ---- *INCAR System = diamond Si START = 0 ; ICHARG=2 ENCUT = 240 ISMEAR = 0; SIGMA = 0.1; NS…'
- 17:3517:35, 4 June 2012 diff hist +551 N Beta-tin Si Created page with '*INCAR System = diamond Si ISMEAR = 0; SIGMA = 0.1; ENMAX = 240 IBRION=2; ISIF=3 ; NSW=15 EDIFF = 0.1E-04 EDIFFG = -0.01 *KPOINTS k-points 0 Monkhorst Pack 11 11 …'
- 17:3317:33, 4 June 2012 diff hist +630 N Cd Si volume relaxation Created page with 'Description: relax the internal coordinates, volume, and cell shape, of cd Si. ---- *INCAR System = diamond Si ISMEAR = 0; SIGMA = 0.1; ENMAX = 240 IBRION=2; ISIF=3 ; NSW=…'
- 17:2917:29, 4 June 2012 diff hist −1 Cd Si No edit summary
- 17:2917:29, 4 June 2012 diff hist +1,488 N Cd Si Created page with 'Description: the bash-script <tt>loop.sh</tt> runs Si in the cubic diamond (cd) structure at several different lattice constants (5.1-5.7 Å) and collects free energy versus latt…'
- 17:2217:22, 4 June 2012 diff hist −1 Fcc Si bandstructure No edit summary
- 17:2217:22, 4 June 2012 diff hist +1,117 N Fcc Si bandstructure Created page with 'Description: compute the bandstructure in fcc Si along L-Γ-X-U and K-Γ '''Mind''': For this calculations you need the {{FILE|CHGCAR}} file of the [[Fcc Si DOS|fcc Si…'
- 16:4116:41, 4 June 2012 diff hist +166 Fcc Si DOS No edit summary
- 16:3816:38, 4 June 2012 diff hist −5 Fcc Si No edit summary
- 16:3716:37, 4 June 2012 diff hist −13 Fcc Si DOS No edit summary
- 16:3516:35, 4 June 2012 diff hist +675 Fcc Si DOS No edit summary
- 16:2916:29, 4 June 2012 diff hist +229 N Fcc Si DOS Created page with '*INCAR *KPOINTS *POSCAR == Download == [http://www.vasp.at/vasp-workshop/examples/name.tgz name.tgz] ---- To the list of examples or to the […'
- 16:2816:28, 4 June 2012 diff hist 0 Fcc Si No edit summary
- 16:2816:28, 4 June 2012 diff hist +293 Fcc Si No edit summary
- 16:1616:16, 4 June 2012 diff hist +184 Fcc Si No edit summary