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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