User contributions for Kresse

11:5011:50, 8 May 2020 diff hist 0‎ LMODELHF ‎No edit summary
11:4711:47, 8 May 2020 diff hist +737‎ LMODELHF ‎No edit summary
09:4809:48, 8 May 2020 diff hist +54‎ LMODELHF ‎No edit summary
09:4709:47, 8 May 2020 diff hist +637‎ LMODELHF ‎No edit summary
09:2909:29, 8 May 2020 diff hist +18‎ LMODELHF ‎No edit summary
09:2609:26, 8 May 2020 diff hist +204‎ LMODELHF ‎No edit summary
09:1809:18, 8 May 2020 diff hist +1,541‎ LMODELHF ‎No edit summary
08:4908:49, 8 May 2020 diff hist +24‎ LMODELHF ‎No edit summary
08:4808:48, 8 May 2020 diff hist +212‎ LMODELHF ‎No edit summary
08:1708:17, 8 May 2020 diff hist −37‎ LMODELHF ‎No edit summary
08:1608:16, 8 May 2020 diff hist +1,604‎ N LMODELHF ‎ Created page with "{{TAGDEF|LMODELHF|.TRUE. {{!}} .FALSE.|.FALSE.}} Description: {{TAG|LMODELHF}} selects a decomposition of the exchange functional based on a range separated screening, with f..."

06:5606:56, 30 April 2020 diff hist +462‎ ISMEAR ‎No edit summary

06:5306:53, 20 April 2020 diff hist +101‎ The VASP Manual ‎No edit summary

12:0512:05, 16 April 2020 diff hist +102‎ VCA ‎No edit summary
12:0312:03, 16 April 2020 diff hist +89‎ VCA ‎No edit summary
11:4211:42, 16 April 2020 diff hist +832‎ VCA ‎No edit summary
11:2811:28, 16 April 2020 diff hist +310‎ VCA ‎No edit summary
11:2011:20, 16 April 2020 diff hist +367‎ VCA ‎No edit summary
11:1311:13, 16 April 2020 diff hist +110‎ VCA ‎No edit summary
11:1111:11, 16 April 2020 diff hist +1,326‎ N VCA ‎ Created page with "{{TAGDEF|VCA|[real array]|read from the {{TAG|POTCAR}} file}} Description: {{TAG|VCA}} is short for the virtual crystal approximation; the tag allows to "weight" each species..."

07:1607:16, 31 March 2020 diff hist +117‎ VCAIMAGES ‎No edit summary
07:0007:00, 31 March 2020 diff hist +9‎ VCAIMAGES ‎ →‎Related Tags and Sections
07:0007:00, 31 March 2020 diff hist +1‎ VCAIMAGES ‎ →‎Related Tags and Sections
06:5906:59, 31 March 2020 diff hist +188‎ NCORE IN IMAGE1 ‎No edit summary
06:5706:57, 31 March 2020 diff hist +714‎ VCAIMAGES ‎No edit summary
06:2506:25, 31 March 2020 diff hist +1,449‎ VCAIMAGES ‎No edit summary

12:3612:36, 12 August 2019 diff hist +61‎ IALGO ‎ →‎Direct optimization
12:3412:34, 12 August 2019 diff hist +1,279‎ LSUBROT ‎No edit summary
12:2312:23, 12 August 2019 diff hist +326‎ LSUBROT ‎No edit summary
12:2012:20, 12 August 2019 diff hist −4‎ LSUBROT ‎No edit summary
12:2012:20, 12 August 2019 diff hist +203‎ N LSUBROT ‎ Created page with "{TAGDEF|LSUBROT|.FALSE. {{!}} .TRUE. {{!}} {{DEF|SUBROT|.FALSE.|}} Description: {{TAG|LSUBROT}} determines whether an optimal rotation matrix between the occupied and unoccu..."
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

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

13:2213:22, 2 April 2019 diff hist −1‎ GGA ‎ moved RE upwards

18:1218:12, 25 February 2019 diff hist +37‎ LFOCKAEDFT ‎No edit summary

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

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

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

09:5509:55, 8 May 2018 diff hist +66‎ VOSKOWN ‎No edit summary

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

13:5313:53, 6 April 2018 diff hist +4‎ DFT-D3 ‎No edit summary

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

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

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

15:3315:33, 18 September 2017 diff hist −80‎ m DFT-D3 ‎No edit summary

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

12:3412:34, 6 September 2017 diff hist +20‎ LASPH ‎No edit summary

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

13:3213:32, 2 May 2017 diff hist +331‎ GGA ‎ Updated description for range separated RPA functionals

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

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

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

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

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
10:4910:49, 6 June 2012 diff hist −275‎ Talk:Ni 100 surface DOS ‎ Blanked the page current
10:4910:49, 6 June 2012 diff hist +15‎ Ni 100 surface DOS ‎No edit summary
10:4810:48, 6 June 2012 diff hist −125‎ Ni 100 surface bandstructure ‎No edit summary
10:4710:47, 6 June 2012 diff hist −82‎ Ni 100 surface DOS ‎No edit summary
10:4210:42, 6 June 2012 diff hist +4‎ Ni 100 surface relaxation ‎No edit summary
10:3810:38, 6 June 2012 diff hist −2‎ Liquid Si - Freezing ‎No edit summary
10:3410:34, 6 June 2012 diff hist +48‎ H2O molecular dynamics ‎No edit summary
10:3110:31, 6 June 2012 diff hist −168‎ Talk:O dimer ‎ Blanked the page current

22:0522:05, 5 June 2012 diff hist +83‎ N Talk:Ni 111 surface high precision ‎ Created page with 'Why ENMAX = 400. How is the related or required for work function ? Again ALGO = V.'
22:0222:02, 5 June 2012 diff hist +195‎ Talk:Ni 100 surface DOS ‎No edit summary

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