User contributions for Kresse
12 August 2019
- 12:1512:15, 12 August 2019 diff hist +486 IALGO →Direct optimization: NELMDL documentation and cross reference
- 12:0312:03, 12 August 2019 diff hist +202 NELMDL No edit summary
- 11:5311:53, 12 August 2019 diff hist +1,859 NELMDL No edit summary
25 July 2019
- 14:3714:37, 25 July 2019 diff hist +78 Construction:Wiki style guide No edit summary
- 14:3414:34, 25 July 2019 diff hist +427 N Construction:Wiki style guide Created page with "This page is under construction * IMPLICIT NONE and INDENT(IN) and INTENT(OUT) must be used * When updating and working on existing routines follow exactly the style of ex..."
- 13:1913:19, 25 July 2019 diff hist +11 The VASP Manual No edit summary
2 April 2019
- 13:2213:22, 2 April 2019 diff hist −1 GGA moved RE upwards
25 February 2019
- 18:1218:12, 25 February 2019 diff hist +37 LFOCKAEDFT No edit summary
25 January 2019
- 16:4416:44, 25 January 2019 diff hist −136 PREC No edit summary
- 16:4216:42, 25 January 2019 diff hist +291 PREC No edit summary
- 16:3916:39, 25 January 2019 diff hist +31 PREC No edit summary
- 16:3616:36, 25 January 2019 diff hist +349 PREC No edit summary
- 16:1716:17, 25 January 2019 diff hist +568 PREC Update of PREC = Single to reflect vasp.6 behaviour
18 December 2018
- 16:5416:54, 18 December 2018 diff hist +75 KBLOCK No edit summary
- 16:5316:53, 18 December 2018 diff hist +6 NBLOCK No edit summary
- 16:5216:52, 18 December 2018 diff hist +51 NBLOCK No edit summary
- 16:5216:52, 18 December 2018 diff hist +246 NBLOCK No edit summary
- 16:5016:50, 18 December 2018 diff hist +1 KBLOCK No edit summary
25 June 2018
- 16:0516:05, 25 June 2018 diff hist +7 LDAUTYPE No edit summary
- 15:5615:56, 25 June 2018 diff hist +182 LDAUTYPE No edit summary
- 15:4315:43, 25 June 2018 diff hist +39 LDAUTYPE No edit summary
- 15:4115:41, 25 June 2018 diff hist +89 LDAUTYPE No edit summary
- 15:2415:24, 25 June 2018 diff hist +311 LDAUTYPE No edit summary
8 May 2018
- 09:5509:55, 8 May 2018 diff hist +66 VOSKOWN No edit summary
3 May 2018
- 16:1316:13, 3 May 2018 diff hist +204 VOSKOWN No edit summary
- 15:5115:51, 3 May 2018 diff hist +303 VOSKOWN No edit summary
6 April 2018
- 13:5313:53, 6 April 2018 diff hist +4 DFT-D3 No edit summary
29 March 2018
- 13:0213:02, 29 March 2018 diff hist +15 Time Evolution No edit summary
- 12:5912:59, 29 March 2018 diff hist −35 LOPTICS No edit summary
- 12:5812:58, 29 March 2018 diff hist −6 LOPTICS →Related Tags and Sections
- 12:5812:58, 29 March 2018 diff hist −1 LOPTICS No edit summary
- 12:5712:57, 29 March 2018 diff hist +16 LOPTICS →Related Tags and Sections
- 12:5612:56, 29 March 2018 diff hist 0 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 12:5512:55, 29 March 2018 diff hist −2 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 12:5512:55, 29 March 2018 diff hist +1 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 12:5512:55, 29 March 2018 diff hist +31 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 12:5412:54, 29 March 2018 diff hist +59 Time Evolution No edit summary
28 March 2018
- 13:4813:48, 28 March 2018 diff hist −35 Time Evolution No edit summary
- 13:4413:44, 28 March 2018 diff hist +18 Time Evolution No edit summary
- 13:4313:43, 28 March 2018 diff hist +92 ALGO No edit summary
- 13:4113:41, 28 March 2018 diff hist +25 NBANDSO No edit summary
- 13:3913:39, 28 March 2018 diff hist +17 NBANDSV →Related Tags and Sections
- 13:3813:38, 28 March 2018 diff hist +104 NBANDSV No edit summary
- 13:3613:36, 28 March 2018 diff hist +129 NBANDSO No edit summary
- 13:3413:34, 28 March 2018 diff hist +35 NBANDSV No edit summary
- 13:2913:29, 28 March 2018 diff hist +1,106 Time Evolution No edit summary
- 13:1013:10, 28 March 2018 diff hist +89 Time Evolution No edit summary
- 13:0813:08, 28 March 2018 diff hist +383 Time Evolution No edit summary
- 13:0113:01, 28 March 2018 diff hist +525 N IEPSILON Created page with "{{TAGDEF|IEPSILON|1 {{!}} 2 {{!}} 3 {{!}} 4} Description: The flag {{TAG|IEPSILON}} determines along which Cartesien the E field is applies. ---- *{{TAG|IEPSILON}}=1 x dire..."
- 12:5812:58, 28 March 2018 diff hist +1 Time Evolution No edit summary
- 12:5812:58, 28 March 2018 diff hist +1,989 Time Evolution No edit summary
- 11:3411:34, 28 March 2018 diff hist −6 Time Evolution No edit summary
- 11:3211:32, 28 March 2018 diff hist +81 Time Evolution No edit summary
- 11:3011:30, 28 March 2018 diff hist +267 Time Evolution →References
- 11:2711:27, 28 March 2018 diff hist +17 Time Evolution No edit summary
- 11:2611:26, 28 March 2018 diff hist +526 Time Evolution No edit summary
- 11:1811:18, 28 March 2018 diff hist +22 Time Evolution →Related Tags and Sections
- 11:1811:18, 28 March 2018 diff hist +67 Time Evolution →Related Tags and Sections
- 11:1611:16, 28 March 2018 diff hist +955 N Time Evolution Created page with " Description: {{TAG|ALGO}}= timeev calculates the frequency dependent dielectric matrix after the electronic ground state has been determined using the time evolution algorith..."
- 11:1311:13, 28 March 2018 diff hist +41 LOPTICS No edit summary
- 11:1011:10, 28 March 2018 diff hist +57 Bethe-Salpeter-equations calculations →Consistency checks
- 11:0711:07, 28 March 2018 diff hist −9 Bethe-Salpeter-equations calculations →Calculations beyond Tamm Dancoff approximation
- 11:0611:06, 28 March 2018 diff hist +128 Bethe-Salpeter-equations calculations →Bethe Salpeter and Casida equations: a first look
- 10:5910:59, 28 March 2018 diff hist +31 Bethe-Salpeter-equations calculations No edit summary
- 09:1709:17, 28 March 2018 diff hist +147 Bethe-Salpeter-equations calculations No edit summary
- 09:1509:15, 28 March 2018 diff hist +36 LOPTICS No edit summary
- 09:1109:11, 28 March 2018 diff hist +22 LOPTICS No edit summary
- 09:0909:09, 28 March 2018 diff hist +183 Bethe-Salpeter-equations calculations No edit summary
- 09:0409:04, 28 March 2018 diff hist +674 Bethe-Salpeter-equations calculations No edit summary
- 08:4708:47, 28 March 2018 diff hist +487 LOPTICS No edit summary
14 December 2017
- 17:5117:51, 14 December 2017 diff hist −167 LMONO No edit summary
- 12:5712:57, 14 December 2017 diff hist −596 LMONO No edit summary
- 12:4112:41, 14 December 2017 diff hist +263 LDIPOL Corrected the description of LDIPOL
- 12:3112:31, 14 December 2017 diff hist +455 Monopole Dipole and Quadrupole Corrections Corrected the description of LDIPOL and LMONO
18 September 2017
- 15:3315:33, 18 September 2017 diff hist −80 m DFT-D3 No edit summary
15 September 2017
- 16:1216:12, 15 September 2017 diff hist +25 LSPECTRALGW No edit summary
- 16:1016:10, 15 September 2017 diff hist +90 Practical guide to GW calculations →Related Tags and Sections
- 16:0916:09, 15 September 2017 diff hist +10 ENCUTGW No edit summary
- 16:0816:08, 15 September 2017 diff hist +5 ENCUTGW No edit summary
- 16:0716:07, 15 September 2017 diff hist +153 ENCUTGW No edit summary
- 15:5615:56, 15 September 2017 diff hist −2 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:5515:55, 15 September 2017 diff hist +111 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:5515:55, 15 September 2017 diff hist +1 ACFDT/RPA calculations →Some Issues Particular to ACFDT-RPA Calculations on Metals
- 15:5315:53, 15 September 2017 diff hist +13 ALGO No edit summary
- 15:5215:52, 15 September 2017 diff hist +19 ALGO No edit summary
- 15:5215:52, 15 September 2017 diff hist −6 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:5015:50, 15 September 2017 diff hist +226 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4815:48, 15 September 2017 diff hist +8 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4715:47, 15 September 2017 diff hist −12 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4715:47, 15 September 2017 diff hist +248 ALGO →ALGO for response functions and GW calculations and ACFDT/RPA calculations
- 15:4315:43, 15 September 2017 diff hist +89 ALGO →ALGO for response functions and GW calculations
- 15:4115:41, 15 September 2017 diff hist +185 ACFDT/RPA calculations →Related Tags and Sections
- 15:4015:40, 15 September 2017 diff hist +1 ENCUTGW →Related Tags and Sections
- 15:4015:40, 15 September 2017 diff hist +31 ENCUTGW →Related Tags and Sections
- 15:3515:35, 15 September 2017 diff hist +36 N ACFDT calculations Kresse moved page ACFDT calculations to ACFDT/RPA calculations current
- 15:3515:35, 15 September 2017 diff hist 0 m ACFDT/RPA calculations Kresse moved page ACFDT calculations to ACFDT/RPA calculations
- 15:3515:35, 15 September 2017 diff hist −29 ACFDT/RPA calculations No edit summary
- 15:3415:34, 15 September 2017 diff hist +4 ACFDT/RPA calculations No edit summary
- 15:3415:34, 15 September 2017 diff hist +25 ACFDT/RPA calculations No edit summary
- 15:2915:29, 15 September 2017 diff hist +50 ENCUTGW No edit summary
- 15:2815:28, 15 September 2017 diff hist +1 ENCUTGW No edit summary
- 15:2715:27, 15 September 2017 diff hist +164 ENCUTGW No edit summary
- 15:2515:25, 15 September 2017 diff hist +244 ENCUTGW →References
- 15:2215:22, 15 September 2017 diff hist +1 ENCUTGW →FFT grid and {{TAG|PRECFOCK}}
- 15:2115:21, 15 September 2017 diff hist +2 ENCUTGW No edit summary
- 15:2015:20, 15 September 2017 diff hist +10 ENCUTGW No edit summary
- 15:1915:19, 15 September 2017 diff hist +1,302 ENCUTGW No edit summary
- 14:4114:41, 15 September 2017 diff hist +918 Bethe-Salpeter-equations calculations →Always double check
- 14:1514:15, 15 September 2017 diff hist −1 Bethe-Salpeter-equations calculations No edit summary
- 14:1014:10, 15 September 2017 diff hist −1 Bethe-Salpeter-equations calculations →Always double check
- 14:0914:09, 15 September 2017 diff hist +140 Bethe-Salpeter-equations calculations →Always double check
- 14:0714:07, 15 September 2017 diff hist +643 Bethe-Salpeter-equations calculations →Always double check
- 14:0214:02, 15 September 2017 diff hist +546 Bethe-Salpeter-equations calculations No edit summary
- 13:5613:56, 15 September 2017 diff hist +9 Bethe-Salpeter-equations calculations No edit summary
- 13:5513:55, 15 September 2017 diff hist +8 Bethe-Salpeter-equations calculations →Calculations at finite wave vectors
- 13:5413:54, 15 September 2017 diff hist −2 Bethe-Salpeter-equations calculations →Calculations beyond Tamm Dancoff (TDA) approximation
- 13:5313:53, 15 September 2017 diff hist +790 Bethe-Salpeter-equations calculations No edit summary
- 13:4513:45, 15 September 2017 diff hist +341 LADDER No edit summary
- 13:4013:40, 15 September 2017 diff hist +1 LRPA →Related Tags and Sections
- 13:4013:40, 15 September 2017 diff hist +33 LRPA →Related Tags and Sections
- 13:3913:39, 15 September 2017 diff hist +51 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 13:3813:38, 15 September 2017 diff hist +32 Bethe-Salpeter-equations calculations →Related Tags and Sections
- 13:3713:37, 15 September 2017 diff hist +1,727 Bethe-Salpeter-equations calculations No edit summary
6 September 2017
- 12:3412:34, 6 September 2017 diff hist +20 LASPH No edit summary
7 July 2017
- 09:3009:30, 7 July 2017 diff hist +473 KSPACING No edit summary
- 09:1209:12, 7 July 2017 diff hist +184 KSPACING No edit summary
2 May 2017
- 13:3213:32, 2 May 2017 diff hist +331 GGA Updated description for range separated RPA functionals
16 March 2017
- 17:3517:35, 16 March 2017 diff hist +55 Projector-augmented-wave formalism No edit summary
- 17:3317:33, 16 March 2017 diff hist +279 m Projector-augmented-wave formalism No edit summary
15 March 2017
- 22:2522:25, 15 March 2017 diff hist 0 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 22:2322:23, 15 March 2017 diff hist −25 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 22:2222:22, 15 March 2017 diff hist +10 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 22:2122:21, 15 March 2017 diff hist 0 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 22:1822:18, 15 March 2017 diff hist 0 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 22:1622:16, 15 March 2017 diff hist +1 LMAXFOCK No edit summary
- 22:1422:14, 15 March 2017 diff hist +3 LMAXFOCK No edit summary
- 18:2818:28, 15 March 2017 diff hist +34 NMAXFOCKAE and LMAXFOCKAE →Usefull Settings
- 18:2818:28, 15 March 2017 diff hist +12 NMAXFOCKAE and LMAXFOCKAE →Usefull Settings
- 18:2818:28, 15 March 2017 diff hist +27 NMAXFOCKAE and LMAXFOCKAE →Usefull Settings
- 18:2718:27, 15 March 2017 diff hist +26 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 18:2618:26, 15 March 2017 diff hist −7 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 18:2418:24, 15 March 2017 diff hist +63 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 18:2318:23, 15 March 2017 diff hist +3 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 18:2218:22, 15 March 2017 diff hist +51 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 18:2018:20, 15 March 2017 diff hist +7 LMAXFOCK No edit summary
- 18:1918:19, 15 March 2017 diff hist +351 LMAXFOCK No edit summary
- 18:1518:15, 15 March 2017 diff hist 0 LMAXFOCK No edit summary
- 18:1418:14, 15 March 2017 diff hist −168 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 18:1318:13, 15 March 2017 diff hist +1 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 18:1018:10, 15 March 2017 diff hist +706 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 17:5917:59, 15 March 2017 diff hist +1 LMAXFOCK No edit summary
- 17:5717:57, 15 March 2017 diff hist +50 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 17:5517:55, 15 March 2017 diff hist +1 Projector-augmented-wave formalism →The compensation or augmentation density
- 17:5317:53, 15 March 2017 diff hist 0 Projector-augmented-wave formalism →Charge and overlap densities
- 17:5217:52, 15 March 2017 diff hist +69 Projector-augmented-wave formalism →The compensation density
- 17:5017:50, 15 March 2017 diff hist +72 NMAXFOCKAE and LMAXFOCKAE No edit summary
- 17:4617:46, 15 March 2017 diff hist +86 LMAXFOCK No edit summary
- 17:2917:29, 15 March 2017 diff hist +30 LMAXFOCK No edit summary
- 17:2717:27, 15 March 2017 diff hist −1 Projector-augmented-wave formalism →The compensation density
- 17:2717:27, 15 March 2017 diff hist +12 Projector-augmented-wave formalism →The compensation density
- 17:2617:26, 15 March 2017 diff hist +39 Projector-augmented-wave formalism →The compensation density
- 17:2517:25, 15 March 2017 diff hist −12 Projector-augmented-wave formalism →Basics of the PAW formalism
- 17:2417:24, 15 March 2017 diff hist 0 Projector-augmented-wave formalism →Basics of the PAW formalism
- 17:2317:23, 15 March 2017 diff hist +15 Projector-augmented-wave formalism →Charge and overlap densities
- 17:2217:22, 15 March 2017 diff hist −76 Projector-augmented-wave formalism →References
- 17:1617:16, 15 March 2017 diff hist +12,007 Projector-augmented-wave formalism No edit summary
- 13:1913:19, 15 March 2017 diff hist 0 The VASP Manual No edit summary
- 13:1813:18, 15 March 2017 diff hist +95 The VASP Manual No edit summary
14 March 2017
- 16:2316:23, 14 March 2017 diff hist −1 LMAXFOCK No edit summary
- 16:2216:22, 14 March 2017 diff hist +345 LMAXFOCKAE No edit summary
- 16:1816:18, 14 March 2017 diff hist +453 LMAXFOCK No edit summary
- 16:0416:04, 14 March 2017 diff hist +448 LMAXFOCK No edit summary
- 15:5615:56, 14 March 2017 diff hist +790 LMAXFOCK No edit summary
- 15:5015:50, 14 March 2017 diff hist +1 LFOCKAEDFT No edit summary
- 15:5015:50, 14 March 2017 diff hist +28 LFOCKAEDFT No edit summary
- 15:4915:49, 14 March 2017 diff hist +408 LFOCKAEDFT No edit summary
- 15:3315:33, 14 March 2017 diff hist −20 QMAXFOCKAE →Related Tags and Sections
- 15:3315:33, 14 March 2017 diff hist +40 QMAXFOCKAE →Related Tags and Sections
- 15:3215:32, 14 March 2017 diff hist +20 NMAXFOCKAE →Related Tags and Sections
- 15:3215:32, 14 March 2017 diff hist +35 LFOCKAEDFT No edit summary
- 15:3015:30, 14 March 2017 diff hist +380 N LFOCKAEDFT Created page with "{{TAGDEF|LFOCKAEDFT|[logical]|.FALSE.}} Description: {{TAG|LFOCKAEDFT}} forces VASP to use the same charge augmentation for the Hartree and exchange part, that is used for t..."
- 15:2715:27, 14 March 2017 diff hist +20 LMAXFOCKAE →Related Tags and Sections
- 15:2615:26, 14 March 2017 diff hist +63 QMAXFOCKAE No edit summary
- 15:2515:25, 14 March 2017 diff hist +82 LMAXFOCKAE No edit summary
- 15:2315:23, 14 March 2017 diff hist −2 LMAXFOCKAE No edit summary
- 15:2215:22, 14 March 2017 diff hist +1 LMAXFOCKAE No edit summary
- 15:2115:21, 14 March 2017 diff hist −1 LMAXFOCKAE No edit summary
- 15:2115:21, 14 March 2017 diff hist +1 LMAXFOCKAE No edit summary
- 15:1915:19, 14 March 2017 diff hist +4 LMAXFOCKAE No edit summary
- 15:1715:17, 14 March 2017 diff hist +538 N QMAXFOCKAE Created page with "{{TAGDEF|QMAXFOCKAE|[real array] }} Description: The parameter {{TAG|QMAXFOCKAE}} controls at which wave vectors an accurate charge augmentation is performed. ---- We do no..."
- 15:0215:02, 14 March 2017 diff hist −1 ENCUTGW →References
- 15:0115:01, 14 March 2017 diff hist +2 ENCUTGW →References
- 14:5914:59, 14 March 2017 diff hist −1 ENCUTGW →References
- 14:5914:59, 14 March 2017 diff hist +303 ENCUTGW No edit summary
- 14:5014:50, 14 March 2017 diff hist −1 ENCUTGW →Further reading
- 14:4814:48, 14 March 2017 diff hist +279 ENCUTGW No edit summary
- 14:4314:43, 14 March 2017 diff hist +17 NKRED No edit summary
- 14:4214:42, 14 March 2017 diff hist +259 NKRED No edit summary
- 14:4014:40, 14 March 2017 diff hist +44 NKRED No edit summary
- 14:3914:39, 14 March 2017 diff hist +15 NKRED No edit summary
- 14:3814:38, 14 March 2017 diff hist +277 CSHIFT No edit summary
- 14:3214:32, 14 March 2017 diff hist +15 NMAXFOCKAE No edit summary
- 14:3214:32, 14 March 2017 diff hist +15 LMAXFOCKAE No edit summary
- 14:2614:26, 14 March 2017 diff hist −1 ENCUTGW No edit summary
- 14:2614:26, 14 March 2017 diff hist 0 ENCUTGW No edit summary
- 14:2214:22, 14 March 2017 diff hist −4,447 NMAXFOCKAE No edit summary
- 14:2214:22, 14 March 2017 diff hist +83 NMAXFOCKAE No edit summary
- 14:2114:21, 14 March 2017 diff hist +4,412 LMAXFOCKAE No edit summary
- 14:1514:15, 14 March 2017 diff hist −6 ENCUTGWSOFT No edit summary
- 14:1114:11, 14 March 2017 diff hist −48 ENCUTGW No edit summary
- 14:0614:06, 14 March 2017 diff hist +34 ENCUTGW No edit summary
- 14:0414:04, 14 March 2017 diff hist +4 ENCUTGW No edit summary
- 14:0314:03, 14 March 2017 diff hist −1 NMAXFOCKAE No edit summary
- 14:0214:02, 14 March 2017 diff hist +247 NMAXFOCKAE No edit summary
- 13:4613:46, 14 March 2017 diff hist −3,514 LMAXFOCKAE No edit summary
- 13:4413:44, 14 March 2017 diff hist +793 NMAXFOCKAE No edit summary
- 13:2613:26, 14 March 2017 diff hist −127 NMAXFOCKAE No edit summary
- 13:1713:17, 14 March 2017 diff hist +4,017 N NMAXFOCKAE Created page with "{{TAGDEF|NMAXFOCKAE|0{{!}}1{{!}}2}} {{DEF|NMAXFOCKAE|0|density functional theory|1|post DFT methods}} {{TAGDEF|LMAXFOCKAE|[integer]|-1}} {{DEF|ICHARG|2|if {{TAG|ISTART}}{{=}}..."
- 13:1613:16, 14 March 2017 diff hist +116 LMAXFOCKAE No edit summary
- 13:1013:10, 14 March 2017 diff hist +2,142 LMAXFOCKAE No edit summary
- 11:3211:32, 14 March 2017 diff hist +58 LMAXFOCKAE No edit summary
13 March 2017
- 18:1818:18, 13 March 2017 diff hist −21 LSPECTRALGW No edit summary
- 18:1818:18, 13 March 2017 diff hist +1 LSPECTRALGW No edit summary
- 18:1518:15, 13 March 2017 diff hist +140 LSPECTRALGW No edit summary
- 18:1318:13, 13 March 2017 diff hist −29 LSPECTRALGW No edit summary
- 17:5517:55, 13 March 2017 diff hist 0 LSPECTRAL →Related Tags and Sections
- 17:5517:55, 13 March 2017 diff hist +1 LSPECTRAL →Related Tags and Sections
- 17:5417:54, 13 March 2017 diff hist +20 LSPECTRAL →Related Tags and Sections
- 17:5317:53, 13 March 2017 diff hist +3 LSPECTRALGW →Related Tags and Sections
- 17:5317:53, 13 March 2017 diff hist −117 LSPECTRALGW →Example Calculations using this Tag
- 17:5217:52, 13 March 2017 diff hist +1,263 N LSPECTRALGW Created page with "{{TAGDEF|LSPECTRALGW|.FALSE. {{!}} .TRUE.}} {{DEF|LSPECTRALGW|.TRUE.|if {{TAG|NOMEGA}}>2}} Description: {{TAG|LSPECTRALGW}} specifies to use the spectral method. ---- If {{T..."
- 17:5017:50, 13 March 2017 diff hist +2 MAXMEM No edit summary
- 17:4817:48, 13 March 2017 diff hist +455 MAXMEM No edit summary
- 17:4417:44, 13 March 2017 diff hist −12 MAXMEM No edit summary
6 June 2012
- 12:5112:51, 6 June 2012 diff hist +23 H2O vibration No edit summary
- 12:4812:48, 6 June 2012 diff hist +403 H2O vibration No edit summary
- 11:1511:15, 6 June 2012 diff hist +69 H2O vibration No edit summary
- 11:0911:09, 6 June 2012 diff hist +5 H2O vibration No edit summary
- 11:0711:07, 6 June 2012 diff hist +59 H2O vibration No edit summary
- 11:0411:04, 6 June 2012 diff hist −81 Talk:H2O vibration Blanked the page current
- 11:0411:04, 6 June 2012 diff hist +2 H2O vibration No edit summary
- 11:0111:01, 6 June 2012 diff hist +66 Vibrational frequencies of CO on Ni 111 surface No edit summary
- 11:0011:00, 6 June 2012 diff hist +48 Vibrational frequencies of CO on Ni 111 surface No edit summary
- 10:5910:59, 6 June 2012 diff hist +497 Vibrational frequencies of CO on Ni 111 surface No edit summary
- 10:5510:55, 6 June 2012 diff hist +3 Vibrational frequencies of CO on Ni 111 surface No edit summary
- 10:5310:53, 6 June 2012 diff hist −34 Partial DOS of CO on Ni 111 surface No edit summary
- 10:5210:52, 6 June 2012 diff hist +4 Ni 111 surface high precision No edit summary
- 10:5110:51, 6 June 2012 diff hist −83 Talk:Ni 111 surface high precision Blanked the page current
- 10:5110:51, 6 June 2012 diff hist +4 CO on Ni 111 surface No edit summary
- 10:5010:50, 6 June 2012 diff hist +4 Ni 111 surface relaxation No edit summary