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
Fermi energy in GW0 calculations
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giacomo giorgi
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Fermi energy in GW0 calculations
Last edited by giacomo giorgi on Tue Nov 24, 2009 8:17 am, edited 1 time in total.
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giacomo giorgi
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- Posts: 122
- Joined: Tue Mar 10, 2009 2:04 am
Fermi energy in GW0 calculations
please, ignore my previous message.....what a stupid! ...DOSCAR.... :?
Last edited by giacomo giorgi on Tue Nov 24, 2009 8:27 am, edited 1 time in total.
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juhL
Fermi energy in GW0 calculations
actually i'm thinking about how to get the Fermi energy in a GW calculation, so could you please comment on it? (seems that you found your answer in the same minute .-) )
Last edited by juhL on Wed Nov 07, 2012 6:00 pm, edited 1 time in total.