User contributions for Huebsch

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
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
12:2812:28, 8 February 2024 diff hist −11‎ Makefile.include.fujitsu a64fx ‎No edit summary
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..."
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

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
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
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

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

9 February 2024

8 February 2024

7 February 2024

6 February 2024