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I am running a calculation for a system which has a half-metallic behavior if using GGA while has a insulating behavior if using HSE06.

I am now using HSE wavefunctions to do scGW calculation using the follow tag in INCAR

ALGO = scGW
NELM = 3
NOMEGA = 64
PRECFOCK = normal
LOPTICS = .TRUE.
LPEAD = .TRUE.

The calculation finished just before the end of first loop. The error message shows:

optical routines
imaginary and real dielectric function
direction 1
DPSI_DK_BERRY: ERROR, S(k1,k2) is singular: k1= 0.0000 0.0000 0.0000 k2= 0.2000 0.0000 0.0000

I checked the vasp source code and it has something to do with pead.f. However, I don't know how to solve this problem. Could you help me fix this out?

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