Fermi energy in GW0 calculations
Posted: Tue Nov 24, 2009 8:17 am
Dear all,
one question about GW0 calculations.
I would like to ask where I can find the value for the Fermi Energy.
Indeed for DFT calculations I can easily find it in OUTCAR. What about for GW ones? Does the Fermi energy correspond to the Valence Band energy? Am I wrong?
Best,
G
INCAR
SYSTEM = 25_PAW_PBE
ISTART=1
ISMEAR=0
SIGMA=0.05
ISPIN=1
NSW=0
NBANDS=150
ENCUTGW=90
LOPTICS=.TRUE.
ALGO=GW0
NOMEGA=48
NELM=10
one question about GW0 calculations.
I would like to ask where I can find the value for the Fermi Energy.
Indeed for DFT calculations I can easily find it in OUTCAR. What about for GW ones? Does the Fermi energy correspond to the Valence Band energy? Am I wrong?
Best,
G
INCAR
SYSTEM = 25_PAW_PBE
ISTART=1
ISMEAR=0
SIGMA=0.05
ISPIN=1
NSW=0
NBANDS=150
ENCUTGW=90
LOPTICS=.TRUE.
ALGO=GW0
NOMEGA=48
NELM=10