User contributions for Huebsch

06:4006:40, 10 April 2024 diff hist +3‎ Toolchains ‎No edit summary

14:3614:36, 19 March 2024 diff hist 0‎ m ML MB MIN ‎ Huebsch moved page Construction:ML MB MIN to ML MB MIN without leaving a redirect
13:2113:21, 19 March 2024 diff hist −9‎ The VASP Manual ‎No edit summary current
13:1913:19, 19 March 2024 diff hist +17‎ METAGGA ‎No edit summary
13:1713:17, 19 March 2024 diff hist 0‎ METAGGA ‎No edit summary
13:1713:17, 19 March 2024 diff hist 0‎ m METAGGA ‎ Huebsch moved page Construction:METAGGA to METAGGA without leaving a redirect
13:1713:17, 19 March 2024 diff hist −10‎ METAGGA ‎No edit summary
13:1613:16, 19 March 2024 diff hist 0‎ METAGGA ‎No edit summary
12:5912:59, 19 March 2024 diff hist 0‎ m Wannier orbitals from VASP ‎ Huebsch moved page Construction:Wannier orbitals from VASP to Wannier orbitals from VASP without leaving a redirect
12:5812:58, 19 March 2024 diff hist +37‎ Wannier orbitals from VASP ‎No edit summary
12:4912:49, 19 March 2024 diff hist 0‎ m LKPOINTS WAN ‎ Huebsch moved page Construction:LKPOINTS WAN to LKPOINTS WAN without leaving a redirect current
12:4812:48, 19 March 2024 diff hist 0‎ m KPOINTS WAN ‎ Huebsch moved page Construction:KPOINTS WAN to KPOINTS WAN without leaving a redirect current
12:4812:48, 19 March 2024 diff hist −7‎ KPOINTS WAN ‎No edit summary
12:3612:36, 19 March 2024 diff hist +101‎ PARAM2 ‎No edit summary current
12:2912:29, 19 March 2024 diff hist 0‎ m PARAM2 ‎ Huebsch moved page Construction:PARAM2 to PARAM2 without leaving a redirect
12:2812:28, 19 March 2024 diff hist 0‎ m PARAM1 ‎ Huebsch moved page Construction:PARAM1 to PARAM1 without leaving a redirect current
12:2712:27, 19 March 2024 diff hist +97‎ PARAM1 ‎No edit summary
12:2212:22, 19 March 2024 diff hist +78‎ GAMMA VDW ‎No edit summary current
12:2212:22, 19 March 2024 diff hist −7‎ Nonlocal vdW-DF functionals ‎No edit summary
12:2112:21, 19 March 2024 diff hist +26‎ ALPHA VDW ‎No edit summary current
12:1812:18, 19 March 2024 diff hist 0‎ m GAMMA VDW ‎ Huebsch moved page Construction:GAMMA VDW to GAMMA VDW without leaving a redirect
12:1812:18, 19 March 2024 diff hist 0‎ m ALPHA VDW ‎ Huebsch moved page Construction:ALPHA VDW to ALPHA VDW without leaving a redirect
12:1812:18, 19 March 2024 diff hist +52‎ ALPHA VDW ‎No edit summary
12:1612:16, 19 March 2024 diff hist 0‎ m Nonlocal vdW-DF functionals ‎ Huebsch moved page Construction:Nonlocal vdW-DF functionals to Nonlocal vdW-DF functionals without leaving a redirect
12:1512:15, 19 March 2024 diff hist +27‎ Changelog ‎ →‎FEATURE current
12:1312:13, 19 March 2024 diff hist +251‎ Precompiler options ‎ →‎-DDFTD4
12:1112:11, 19 March 2024 diff hist +644‎ Makefile.include ‎No edit summary
11:3411:34, 19 March 2024 diff hist 0‎ m LIBMBD PARALLEL MODE ‎ Huebsch moved page Construction:LIBMBD PARALLEL MODE to LIBMBD PARALLEL MODE without leaving a redirect
11:3311:33, 19 March 2024 diff hist −7‎ LIBMBD PARALLEL MODE ‎No edit summary
11:3311:33, 19 March 2024 diff hist −7‎ LIBMBD K GRID SHIFT ‎No edit summary
11:3311:33, 19 March 2024 diff hist 0‎ m LIBMBD K GRID SHIFT ‎ Huebsch moved page Construction:LIBMBD K GRID SHIFT to LIBMBD K GRID SHIFT without leaving a redirect
11:3211:32, 19 March 2024 diff hist 0‎ m LIBMBD K GRID ‎ Huebsch moved page Construction:LIBMBD K GRID to LIBMBD K GRID without leaving a redirect
11:3211:32, 19 March 2024 diff hist −7‎ LIBMBD K GRID ‎No edit summary
11:3211:32, 19 March 2024 diff hist −7‎ LIBMBD N OMEGA GRID ‎No edit summary Tag: Visual edit: Switched
11:3111:31, 19 March 2024 diff hist 0‎ m LIBMBD N OMEGA GRID ‎ Huebsch moved page Construction:LIBMBD N OMEGA GRID to LIBMBD N OMEGA GRID without leaving a redirect
11:3111:31, 19 March 2024 diff hist 0‎ m LIBMBD R0AU ‎ Huebsch moved page Construction:LIBMBD R0AU to LIBMBD R0AU without leaving a redirect
11:3111:31, 19 March 2024 diff hist −7‎ LIBMBD R0AU ‎No edit summary
11:3011:30, 19 March 2024 diff hist −7‎ LIBMBD ALPHA ‎No edit summary
11:3011:30, 19 March 2024 diff hist 0‎ m LIBMBD ALPHA ‎ Huebsch moved page Construction:LIBMBD ALPHA to LIBMBD ALPHA without leaving a redirect
11:1911:19, 19 March 2024 diff hist 0‎ m LIBMBD C6AU ‎ Huebsch moved page Construction:LIBMBD C6AU to LIBMBD C6AU without leaving a redirect
11:1911:19, 19 March 2024 diff hist −7‎ LIBMBD C6AU ‎No edit summary
11:1811:18, 19 March 2024 diff hist +1‎ LIBMBD MBD A ‎No edit summary
11:1811:18, 19 March 2024 diff hist +1‎ LIBMBD MBD BETA ‎No edit summary Tag: Manual revert
11:1611:16, 19 March 2024 diff hist −1‎ LIBMBD MBD BETA ‎No edit summary Tag: Reverted
11:1511:15, 19 March 2024 diff hist −7‎ LIBMBD MBD BETA ‎No edit summary
11:1511:15, 19 March 2024 diff hist 0‎ m LIBMBD MBD BETA ‎ Huebsch moved page Construction:LIBMBD MBD BETA to LIBMBD MBD BETA without leaving a redirect
11:1411:14, 19 March 2024 diff hist 0‎ m LIBMBD MBD A ‎ Huebsch moved page Construction:LIBMBD MBD A to LIBMBD MBD A without leaving a redirect
11:1411:14, 19 March 2024 diff hist −8‎ LIBMBD MBD A ‎No edit summary
11:1311:13, 19 March 2024 diff hist 0‎ m LIBMBD TS SR ‎ Huebsch moved page Construction:LIBMBD TS SR to LIBMBD TS SR without leaving a redirect
11:1311:13, 19 March 2024 diff hist −7‎ LIBMBD TS SR ‎No edit summary
11:1311:13, 19 March 2024 diff hist 0‎ m LIBMBD TS D ‎ Huebsch moved page Construction:LIBMBD TS D to LIBMBD TS D without leaving a redirect
11:1211:12, 19 March 2024 diff hist −7‎ LIBMBD TS D ‎No edit summary
11:1211:12, 19 March 2024 diff hist 0‎ m LIBMBD VDW PARAMS KIND ‎ Huebsch moved page Construction:LIBMBD VDW PARAMS KIND to LIBMBD VDW PARAMS KIND without leaving a redirect
11:1211:12, 19 March 2024 diff hist −7‎ LIBMBD VDW PARAMS KIND ‎No edit summary
11:1111:11, 19 March 2024 diff hist 0‎ m LIBMBD XC ‎ Huebsch moved page Construction:LIBMBD XC to LIBMBD XC without leaving a redirect
11:1111:11, 19 March 2024 diff hist −7‎ LIBMBD XC ‎No edit summary
11:1111:11, 19 March 2024 diff hist −7‎ LIBMBD METHOD ‎No edit summary
11:1011:10, 19 March 2024 diff hist 0‎ m LIBMBD METHOD ‎ Huebsch moved page Construction:LIBMBD METHOD to LIBMBD METHOD without leaving a redirect
11:0611:06, 19 March 2024 diff hist −5‎ Known issues ‎No edit summary
11:0511:05, 19 March 2024 diff hist 0‎ N Category:Version ‎ Created blank page current Tag: Visual edit: Switched
11:0511:05, 19 March 2024 diff hist −6‎ Changelog ‎No edit summary
11:0411:04, 19 March 2024 diff hist 0‎ m Changelog ‎ Huebsch moved page Construction:Changelog to Changelog without leaving a redirect
10:5510:55, 19 March 2024 diff hist −19‎ BANDGAP ‎No edit summary current
10:5410:54, 19 March 2024 diff hist 0‎ m BANDGAP ‎ Huebsch moved page Construction:BANDGAP to BANDGAP without leaving a redirect
10:5310:53, 19 March 2024 diff hist 0‎ m BSEELECTRON ‎ Huebsch moved page Construction:BSEELECTRON to BSEELECTRON without leaving a redirect current
10:5310:53, 19 March 2024 diff hist 0‎ m BSEHOLE ‎ Huebsch moved page Construction:BSEHOLE to BSEHOLE without leaving a redirect current
10:5210:52, 19 March 2024 diff hist 0‎ m Plotting exciton wavefunction ‎ Huebsch moved page Construction:Plotting exciton wavefunction to Plotting exciton wavefunction without leaving a redirect current
10:5110:51, 19 March 2024 diff hist −7‎ XC ‎No edit summary current
10:5110:51, 19 March 2024 diff hist −7‎ XC C ‎No edit summary current
10:5010:50, 19 March 2024 diff hist 0‎ m XC C ‎ Huebsch moved page Construction:XC C to XC C without leaving a redirect
10:5010:50, 19 March 2024 diff hist 0‎ m XC ‎ Huebsch moved page Construction:XC to XC without leaving a redirect
07:3707:37, 19 March 2024 diff hist +249‎ Changelog ‎No edit summary
06:5306:53, 19 March 2024 diff hist +6‎ CSVR thermostat ‎No edit summary current
06:5006:50, 19 March 2024 diff hist +76‎ CSVR thermostat ‎No edit summary

07:4807:48, 26 February 2024 diff hist 0‎ m IBAND ‎ Huebsch moved page Construction:IBAND to IBAND without leaving a redirect current
07:4707:47, 26 February 2024 diff hist 0‎ m KPUSE ‎ Huebsch moved page Construction:Kpuse to KPUSE without leaving a redirect current

13:4613:46, 22 February 2024 diff hist −25‎ GW method ‎ Changed redirect target from GW approximation of Hedin's equations to Category:GW current Tag: Redirect target changed
13:4513:45, 22 February 2024 diff hist +26‎ N GW ‎ Redirected page to Category:GW current Tag: New redirect

09:0709:07, 21 February 2024 diff hist +11‎ The VASP Manual ‎No edit summary
09:0509:05, 21 February 2024 diff hist −18‎ Category:XAS ‎No edit summary current
09:0509:05, 21 February 2024 diff hist −18‎ Category:Low-scaling GW and RPA ‎No edit summary current
09:0509:05, 21 February 2024 diff hist −18‎ Category:Electron-phonon interactions ‎No edit summary current
09:0509:05, 21 February 2024 diff hist −18‎ Category:Constrained-random-phase approximation ‎No edit summary current
09:0509:05, 21 February 2024 diff hist −18‎ XAS - Tutorial ‎No edit summary current
09:0409:04, 21 February 2024 diff hist −18‎ Validation tests ‎No edit summary current
09:0409:04, 21 February 2024 diff hist −18‎ Toolchains ‎No edit summary
09:0409:04, 21 February 2024 diff hist −18‎ Precompiler options ‎No edit summary
09:0309:03, 21 February 2024 diff hist −18‎ RPA/ACFDT: Correlation energy in the Random Phase Approximation ‎No edit summary current
09:0209:02, 21 February 2024 diff hist −18‎ SCH calculations ‎No edit summary current
09:0209:02, 21 February 2024 diff hist −18‎ Shared memory ‎No edit summary current
09:0209:02, 21 February 2024 diff hist −13‎ Construction:Time-evolution ‎No edit summary
09:0109:01, 21 February 2024 diff hist −18‎ Time Evolution ‎No edit summary current
09:0109:01, 21 February 2024 diff hist −18‎ Practical guide to GW calculations ‎No edit summary current
09:0009:00, 21 February 2024 diff hist −18‎ PHON TLIST ‎No edit summary current
09:0009:00, 21 February 2024 diff hist −18‎ PHON NTLIST ‎No edit summary current
08:5608:56, 21 February 2024 diff hist −19‎ PHON NSTRUCT ‎No edit summary current
08:5608:56, 21 February 2024 diff hist −18‎ PHON LMC ‎No edit summary current
08:5608:56, 21 February 2024 diff hist −18‎ PHON LBOSE ‎No edit summary current
08:5508:55, 21 February 2024 diff hist −18‎ OpenACC GPU port of VASP ‎No edit summary current
08:5508:55, 21 February 2024 diff hist −19‎ NTAUPAR ‎No edit summary current
08:5508:55, 21 February 2024 diff hist −18‎ NTARGET STATES ‎No edit summary current
08:5408:54, 21 February 2024 diff hist −18‎ NSTORB ‎No edit summary current
08:5408:54, 21 February 2024 diff hist −18‎ NOMEGAPAR ‎No edit summary current
08:5208:52, 21 February 2024 diff hist −49‎ NOMEGA DUMP ‎No edit summary current
08:5108:51, 21 February 2024 diff hist −19‎ NOMEGA ‎No edit summary current
08:5108:51, 21 February 2024 diff hist −18‎ NELMGW ‎No edit summary current
08:5108:51, 21 February 2024 diff hist −18‎ NBANDSEXACT ‎No edit summary current
08:5008:50, 21 February 2024 diff hist −18‎ NBANDS WAVE ‎No edit summary current
08:5008:50, 21 February 2024 diff hist −18‎ NATURALO ‎No edit summary current
08:4908:49, 21 February 2024 diff hist −19‎ MAXMEM ‎No edit summary current
08:4908:49, 21 February 2024 diff hist −18‎ NCRPA BANDS ‎No edit summary current
06:3206:32, 21 February 2024 diff hist −18‎ Matsubara formalism ‎No edit summary current
06:3206:32, 21 February 2024 diff hist −18‎ Makefile.include ‎No edit summary
06:3206:32, 21 February 2024 diff hist −18‎ LSMP2LT ‎No edit summary current
06:3206:32, 21 February 2024 diff hist −18‎ LSINGLES ‎No edit summary current
06:3106:31, 21 February 2024 diff hist −25‎ LRPAFORCE ‎No edit summary current
06:3106:31, 21 February 2024 diff hist −18‎ Low-scaling GW: The space-time formalism ‎No edit summary current
06:3006:30, 21 February 2024 diff hist −18‎ LMP2LT ‎No edit summary current
06:3006:30, 21 February 2024 diff hist −18‎ LMODELHF ‎No edit summary current
06:3006:30, 21 February 2024 diff hist −18‎ Linking to libraries ‎No edit summary current
06:3006:30, 21 February 2024 diff hist −18‎ LFOCKACE ‎No edit summary current
06:2906:29, 21 February 2024 diff hist −18‎ LFINITE TEMPERATURE ‎No edit summary current
06:2906:29, 21 February 2024 diff hist −15‎ LALL IN ONE ‎No edit summary current
06:2806:28, 21 February 2024 diff hist −19‎ Installing VASP.6.X.X ‎No edit summary current

14:4914:49, 20 February 2024 diff hist −19‎ IALL IN ONE ‎No edit summary
14:4514:45, 20 February 2024 diff hist −18‎ GW approximation of Hedin's equations ‎No edit summary current
14:4414:44, 20 February 2024 diff hist −18‎ ESTOP ‎No edit summary current
14:4414:44, 20 February 2024 diff hist −18‎ Electron-phonon interactions theory ‎No edit summary current
14:4314:43, 20 February 2024 diff hist −18‎ Electron-phonon interactions from Monte-Carlo sampling ‎No edit summary current
14:3814:38, 20 February 2024 diff hist −18‎ CRPA of SrVO3 ‎No edit summary current
14:3814:38, 20 February 2024 diff hist −122‎ Constrained–random-phase–approximation formalism ‎No edit summary current
14:3714:37, 20 February 2024 diff hist −18‎ Compiler options ‎No edit summary current
14:3714:37, 20 February 2024 diff hist −18‎ CH SIGMA ‎No edit summary current
14:3714:37, 20 February 2024 diff hist −18‎ CH NEDOS ‎No edit summary current
14:3614:36, 20 February 2024 diff hist −18‎ CH LSPEC ‎No edit summary current
14:3614:36, 20 February 2024 diff hist −18‎ ACFDT/RPA calculations ‎No edit summary current
12:3812:38, 20 February 2024 diff hist +103‎ BEXT ‎No edit summary current
10:3010:30, 20 February 2024 diff hist +115‎ LSELFENERGY ‎No edit summary current
10:1410:14, 20 February 2024 diff hist +3,865‎ LSELFENERGY ‎No edit summary
09:1409:14, 20 February 2024 diff hist 0‎ Computing the phonon dispersion and DOS ‎ →‎Phonon dispersion: Step-by-step instructions
09:1209:12, 20 February 2024 diff hist −4‎ Computing the phonon dispersion and DOS ‎No edit summary
09:0209:02, 20 February 2024 diff hist −432‎ Computing the phonon dispersion and DOS ‎No edit summary
08:5908:59, 20 February 2024 diff hist −37‎ PHON NEDOS ‎No edit summary current
08:5808:58, 20 February 2024 diff hist −47‎ PHON SIGMA ‎No edit summary current Tag: Visual edit: Switched

07:4807:48, 14 February 2024 diff hist −4‎ EINT ‎ →‎Related tags and articles
07:4507:45, 14 February 2024 diff hist 0‎ LPARD ‎No edit summary current
07:4207:42, 14 February 2024 diff hist −4‎ LPARD ‎ →‎Related tags and articles
07:3607:36, 14 February 2024 diff hist 0‎ m PARCHG ‎ Huebsch moved page Construction:PARCHG to PARCHG without leaving a redirect
07:3607:36, 14 February 2024 diff hist −91‎ PARCHG ‎No edit summary

14:3414:34, 9 February 2024 diff hist 0‎ Computing the phonon dispersion and DOS ‎No edit summary
13:4913:49, 9 February 2024 diff hist −16‎ Category:Dielectric properties ‎No edit summary current
13:4813:48, 9 February 2024 diff hist −37‎ Category:NMR ‎No edit summary current
13:1913:19, 9 February 2024 diff hist 0‎ m Construction:Müller-Plathe method ‎ Huebsch moved page Müller-Plathe method to Construction:Müller-Plathe method without leaving a redirect
12:2212:22, 9 February 2024 diff hist −46‎ Plotting exciton wavefunction ‎No edit summary
12:0512:05, 9 February 2024 diff hist −4‎ LSEPK ‎No edit summary
12:0412:04, 9 February 2024 diff hist −4‎ NBMOD ‎No edit summary
12:0412:04, 9 February 2024 diff hist −4‎ EINT ‎No edit summary
12:0412:04, 9 February 2024 diff hist −4‎ LPARD ‎No edit summary
12:0312:03, 9 February 2024 diff hist −4‎ Band-decomposed charge densities ‎No edit summary
12:0312:03, 9 February 2024 diff hist 0‎ m Band-decomposed charge densities ‎ Huebsch moved page Construction:Band-decomposed charge densities to Band-decomposed charge densities without leaving a redirect
12:0212:02, 9 February 2024 diff hist 0‎ m LPARD ‎ Huebsch moved page Construction:LPARD to LPARD without leaving a redirect
12:0112:01, 9 February 2024 diff hist 0‎ m LSEPK ‎ Huebsch moved page Construction:LSEPK to LSEPK without leaving a redirect
12:0112:01, 9 February 2024 diff hist −217‎ PARCHG ‎No edit summary
11:5911:59, 9 February 2024 diff hist +1,135‎ LSEPB ‎No edit summary
11:5711:57, 9 February 2024 diff hist 0‎ m NBMOD ‎ Huebsch moved page Construction:NBMOD to NBMOD without leaving a redirect
11:5711:57, 9 February 2024 diff hist 0‎ m EINT ‎ Huebsch moved page Construction:EINT to EINT without leaving a redirect
10:5010:50, 9 February 2024 diff hist +2‎ XC C ‎No edit summary
10:4910:49, 9 February 2024 diff hist +2‎ XC C ‎No edit summary
09:0009:00, 9 February 2024 diff hist +76‎ Category:Magnetism ‎ →‎How to current
08:5608:56, 9 February 2024 diff hist +474‎ BEXT ‎No edit summary
08:2008:20, 9 February 2024 diff hist +97‎ VDW RADIUS ‎No edit summary

12:2812:28, 8 February 2024 diff hist −11‎ Makefile.include.fujitsu a64fx omp ‎No edit summary current
12:2812:28, 8 February 2024 diff hist −11‎ Makefile.include.fujitsu a64fx ‎No edit summary current
10:4810:48, 8 February 2024 diff hist −3‎ XC ‎No edit summary
10:4710:47, 8 February 2024 diff hist −10‎ Construction:Category:Pseudopotentials ‎ →‎Related tags and sections
10:4510:45, 8 February 2024 diff hist +902‎ Construction:Category:Pseudopotentials ‎No edit summary
10:3910:39, 8 February 2024 diff hist +757‎ N LEXCH ‎ Created page with "{{TAGDEF|LEXCH|[string]}} {{TAGDEF|LEXCH|CA.OR.PBE}} {{DEF| LEXCH |CA|for LDA pseudopotentials|PE|for GGA pseudopotentials}} Definition: Set the default exchange-correlation functional. ----- The functional specified by {{TAG|LEXCH}} was used as a reference when the PAW potential was created. The transferability of PAW potentials to other exchange-correlation functionals is quite well. So, the functional used during the calculation can be freely adjusted (de..." current
10:1810:18, 8 February 2024 diff hist +30‎ Category:POTCAR tag ‎No edit summary current
10:1710:17, 8 February 2024 diff hist +33‎ N POTCAR tag ‎ Redirected page to Category:POTCAR tag current Tag: New redirect
10:1110:11, 8 February 2024 diff hist +257‎ N Category:POTCAR tag ‎ Created page with "The {{FILE|POTCAR}} file contains the pseudopotentials. The settings it contains should not be edited by the user, but it sometimes helps to understand their meaning. Below is a list of '''POTCAR tags'''. Category:Pseudopotentials"
10:0610:06, 8 February 2024 diff hist +29‎ WRT POTENTIAL ‎No edit summary current

14:3814:38, 7 February 2024 diff hist +34‎ CHGCAR ‎ →‎Format
10:4410:44, 7 February 2024 diff hist +92‎ CHGCAR ‎ →‎Magnetic calculations
10:4310:43, 7 February 2024 diff hist +122‎ CHGCAR ‎No edit summary
10:1310:13, 7 February 2024 diff hist +3‎ WRT POTENTIAL ‎ →‎ionic
10:1210:12, 7 February 2024 diff hist +3‎ WRT POTENTIAL ‎ →‎total
09:4909:49, 7 February 2024 diff hist +14‎ Computing the work function ‎No edit summary
09:4609:46, 7 February 2024 diff hist 0‎ WRT POTENTIAL ‎No edit summary
09:4509:45, 7 February 2024 diff hist −17‎ WRT POTENTIAL ‎No edit summary
09:3909:39, 7 February 2024 diff hist +791‎ CHGCAR ‎No edit summary
09:2709:27, 7 February 2024 diff hist −1‎ VACPOTFLAT ‎No edit summary current
08:5608:56, 7 February 2024 diff hist +673‎ CHGCAR ‎No edit summary
08:5308:53, 7 February 2024 diff hist +1‎ POT ‎No edit summary current
07:4907:49, 7 February 2024 diff hist +1‎ POT ‎No edit summary
07:2907:29, 7 February 2024 diff hist −53‎ Vaspout.h5 ‎ →‎Related tags and sections current
07:2807:28, 7 February 2024 diff hist +890‎ N POT ‎ Created page with "The {{FILE|POT}} file contains the local potential (in eV), including the augmentation part. It is written if {{TAG|LVTOT}}=T, and it can be used to restart a calculation that requires the local potential as a restart quantity, e.g., for the optimized effective potential (OEP) method. For {{TAG|LVTOT}}=T and {{TAG|LH5}}=T, the content of the {{FILE|POT}} file is written to the restart file {{FILE|vaspwave.h5}} instead. If you are interested in the local potential as a..."
07:1207:12, 7 February 2024 diff hist +14‎ LOCPOT ‎No edit summary current

15:2115:21, 6 February 2024 diff hist +2,772‎ N Makefile.include.aocc ompi aocl omp ‎ Created page with "{{DISPLAYTITLE:makefile.include.aocc_ompi_aocl_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf \ -D_OPENMP CPP = flang -E -ffree-form -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP..." current
15:2015:20, 6 February 2024 diff hist +51‎ Makefile.include.aocc ompi aocl ‎No edit summary current
15:1915:19, 6 February 2024 diff hist +2,416‎ N Makefile.include.aocc ompi aocl ‎ Created page with "<pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxGNU\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf CPP = flang -E -ffree-form -C -w $*$(FUFFIX) >$*$(SUFFIX) $(CPP_OPTIONS) FC = mpif90 FCL = mpif90 FREE = -ffree-form..."
15:1515:15, 6 February 2024 diff hist +175‎ Makefile.include.nec aurora ‎No edit summary current
15:1315:13, 6 February 2024 diff hist +1,014‎ Makefile.include.nvhpc ompi mkl omp acc ‎No edit summary current
15:1115:11, 6 February 2024 diff hist +657‎ Makefile.include.nvhpc omp acc ‎No edit summary current
15:0915:09, 6 February 2024 diff hist +689‎ Makefile.include.nvhpc acc ‎No edit summary current
15:0615:06, 6 February 2024 diff hist +21‎ Makefile.include.nvhpc ompi mkl omp ‎No edit summary current
15:0515:05, 6 February 2024 diff hist +21‎ Makefile.include.nvhpc omp ‎No edit summary current
15:0415:04, 6 February 2024 diff hist +21‎ Makefile.include.nvhpc ‎No edit summary current
15:0315:03, 6 February 2024 diff hist +21‎ Makefile.include.gnu ompi aocl omp ‎No edit summary current
15:0315:03, 6 February 2024 diff hist +21‎ Makefile.include.gnu ompi aocl ‎No edit summary current
15:0315:03, 6 February 2024 diff hist +21‎ Makefile.include.gnu ompi mkl omp ‎No edit summary current
15:0215:02, 6 February 2024 diff hist +21‎ Makefile.include.gnu omp ‎No edit summary current
15:0215:02, 6 February 2024 diff hist +21‎ Makefile.include.gnu ‎No edit summary current
15:0115:01, 6 February 2024 diff hist −5‎ Makefile.include.intel serial ‎No edit summary current
15:0115:01, 6 February 2024 diff hist +26‎ Makefile.include.intel serial ‎No edit summary
14:5714:57, 6 February 2024 diff hist +21‎ Makefile.include.intel ompi mkl omp ‎No edit summary current
14:5614:56, 6 February 2024 diff hist +21‎ Makefile.include.intel omp ‎No edit summary current
14:5614:56, 6 February 2024 diff hist +71‎ Makefile.include.oneapi ‎No edit summary current Tag: Visual edit: Switched
14:5514:55, 6 February 2024 diff hist +71‎ Makefile.include.oneapi omp ‎No edit summary current
14:5514:55, 6 February 2024 diff hist +21‎ Makefile.include.intel ‎No edit summary current
14:5414:54, 6 February 2024 diff hist +2,397‎ N Makefile.include.oneapi omp ‎ Created page with "{{DISPLAYTITLE:makefile.include.oneapi_omp}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxIFC\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf \ -D_OPENMP CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS)..."
14:5114:51, 6 February 2024 diff hist +2,100‎ N Makefile.include.oneapi ‎ Created page with "{{DISPLAYTITLE:makefile.include.oneapi}} <pre> # Default precompiler options CPP_OPTIONS = -DHOST=\"LinuxIFC\" \ -DMPI -DMPI_BLOCK=8000 -Duse_collective \ -DscaLAPACK \ -DCACHE_SIZE=4000 \ -Davoidalloc \ -Dvasp6 \ -Duse_bse_te \ -Dtbdyn \ -Dfock_dblbuf CPP = fpp -f_com=no -free -w0 $*$(FUFFIX) $*$(SUFFIX) $(CPP_OPTIONS) FC = mpiifort -fc=ifx..."
14:4914:49, 6 February 2024 diff hist +144‎ Makefile.include ‎No edit summary
14:2014:20, 6 February 2024 diff hist +38‎ Computing the work function ‎ →‎Related tags and articles
14:1314:13, 6 February 2024 diff hist +203‎ LVHAR ‎No edit summary current
11:1611:16, 6 February 2024 diff hist −78‎ LOCPOT ‎No edit summary
11:1111:11, 6 February 2024 diff hist +51‎ Known issues ‎No edit summary
11:0011:00, 6 February 2024 diff hist +362‎ LVTOT ‎No edit summary current
10:5110:51, 6 February 2024 diff hist +33‎ LVACPOTAV ‎ →‎Related tags and articles
10:4310:43, 6 February 2024 diff hist −245‎ LVACPOTAV ‎No edit summary
09:4409:44, 6 February 2024 diff hist +6‎ WRT POTENTIAL ‎No edit summary
09:4309:43, 6 February 2024 diff hist +4‎ WRT POTENTIAL ‎No edit summary
09:4209:42, 6 February 2024 diff hist +3,689‎ N WRT POTENTIAL ‎ Created page with "{{TAGDEF|WRT_POTENTIAL|string|None}} {{DISPLAYTITLE:WRT_POTENTIAL}} Description: Select the potential to be written as a post-processing. ---- {{TAG|WRT_POTENTIAL}} can select one or multiple local potentials on the real-space grid in the unit cell to be written, e.g., {{TAGBL|WRT_POTENTIAL}} = total or {{TAGBL|WRT_POTENTIAL}} = hartree ionic The output is written to {{FILE|vaspout.h5}} and can be accessed either by py4vasp or HDF5 command-line tools (h5ls, h5dump)...."
08:0008:00, 6 February 2024 diff hist −44‎ VACPOTFLAT ‎No edit summary
07:3207:32, 6 February 2024 diff hist −1‎ Construction:MYTAG ‎No edit summary current
07:3107:31, 6 February 2024 diff hist +127‎ Construction:MYTAG ‎No edit summary
07:3007:30, 6 February 2024 diff hist −27‎ Construction:MYTAG ‎No edit summary

12:2012:20, 5 February 2024 diff hist +11‎ Category:Dielectric properties ‎ →‎Electric response combined with perturbations of the ionic degrees of freedom
10:2410:24, 5 February 2024 diff hist +30‎ Category:Dielectric properties ‎ →‎Strain
09:2109:21, 5 February 2024 diff hist +51‎ EFERMI ‎No edit summary current

09:1709:17, 4 February 2024 diff hist +541‎ EFERMI ‎No edit summary

15:0915:09, 2 February 2024 diff hist +18‎ LOPTICS ‎ →‎Related tags and articles current

08:4308:43, 1 February 2024 diff hist +1‎ LOPTICS ‎ →‎Related tags and articles
06:4806:48, 1 February 2024 diff hist +45‎ N Dielectric properties ‎ Redirected page to Category:Dielectric properties current Tag: New redirect

13:2013:20, 31 January 2024 diff hist +12‎ LWANNIER90 ‎No edit summary current
11:2811:28, 31 January 2024 diff hist 0‎ m LWRITE SPN ‎ Huebsch moved page Construction:LWRITE SPN to LWRITE SPN without leaving a redirect current
11:2711:27, 31 January 2024 diff hist +48‎ LWRITE SPN ‎No edit summary
11:2411:24, 31 January 2024 diff hist −7‎ LWRITE SPN ‎No edit summary
11:2311:23, 31 January 2024 diff hist 0‎ m Category:Dielectric properties ‎ Huebsch moved page Construction:Category:Dielectric properties to Category:Dielectric properties without leaving a redirect
10:3610:36, 31 January 2024 diff hist +835‎ N LWRITE SPN ‎ Created page with "{{TAGDEF|LWRITE_SPN|.TRUE. {{!}} .FALSE.|.FALSE.}} {{DISPLAYTITLE:LWRITE_SPN}} Description: Write '''wannier90.spn''' file for noncollinear calculations. ---- For noncollinear calculations ({{TAG|LNONCOLLINEAR}}=T using vasp_ncl) the '''wannier90.spn''' file is written when {{TAGBL|LWANNIER90}}=T ! switch on Wannier90 interface {{TAGBL|LWRITE_SPN}}=T The file is formatted, and the appropriate line (<code>spn_formatted = .true.</code>) is automatically added to..."
07:3507:35, 31 January 2024 diff hist +21‎ XC C ‎No edit summary

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