Commit db1aed82 authored by Doak, Peter W's avatar Doak, Peter W
Browse files

actual example input for VASP

parent 45494307
ISTART=0
ICHARG=2
PREC=Normal
ENCUT=300
LWAVE=.FALSE.
LCHARG=.FALSE.
ISPIN=2
NPAR=2
MAGMOM=5.0
ISMEAR=-5
NELMIN=5
NELM=100
ALGO=fast
EDIFF=1.0E-6
#ISIF=0
#IBRION=1
#NSW=20
K-Points
0
Monkhost Pack
6 6 6
0 0 0
bcc
1.00
1.419043 1.419043 -1.419043
-1.419043 1.419043 1.419043
1.419043 -1.419043 1.419043
1
Direct
0.000000 0.000000 0.000000
This source diff could not be displayed because it is too large. You can view the blob instead.
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment