Hello,
I have persistent VASP crashes trying to calculate an optical dielectric tensor with HSE. OSZICAR shows "imaginary and real dielectric function" then stops. OUTCAR file just stops after "writing wavefunction". Parameters in the INCAR file were changed in various way. Below is one of my INCAR files. PLease let me know how to fix it to get calculated optical dielectric function. Similar runs with PBE were fine. Thank you.
ISMEAR=0
SIGMA=0.2
EDIFF=1.0E-6
PREC=Medium
LREAL=Auto
#RUN PARAMETERS
#IBRION=-1
#NSW=0
#POTIM=0.1
# SPIN AND FUNCTIONAL
ISPIN=1
GGA=PE
ALGO=Exact
TIME=0.2
#HSE
LHFCALC=.TRUE.
HFSCREEN=0.2
PRECFOCK=Fast
NKREDX=2
NKREDY=2
#NPAR=4
#OPTICS
NBANDS=216
LOPTICS=.TRUE.
CSHIFT=0.1
NEDOS=2000
Optical Dielectric Tensor with HSE
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Eugene
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support_vasp
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Re: Optical Dielectric Tensor with HSE
Hi,
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