Hello
We are trying to make some calculations with G0W0 on VASP 5.3. We sent the following INCAR using LDA:
ALGO = GW0
EDIFF = 0.00000001
#ENCUT = 520
ISTART = 1
IBRION = -1
ICHARG = 2
ISIF = 2
ISMEAR =-5
ISPIN = 1
LORBIT = 11
#LREAL = False
LWAVE = True
NSW = 0
PREC = Accurate
SIGMA = 0.05
NBANDS = 150
LOPTICS = True
LSPECTRAL = True
NOMEGA=50
NELM=1
Unfortunately, the results show an incorrect band gap which tends to be greater than the expected value. We have also tried using Hartree-Fock and HSEO6 for the first iteration but the same problem is present. I hope you can help me with this problem. Thanks in regard.
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