Dear quantum espresso experts, I tried to estimate ONCV PP for graphene band structure and dielectric tensor calculations. Bands and DOS were good, however, epsilon.x returned epsi.dat and epsr.dat files with infinity values. I used options nosym[=.true. and noinv=.true. for nscf calculations. ibrav=0 option was used because I need to enlarge unit cells in x and y directions independently of each other for further calculations. I am attaching the input file with the mail.
I really appreciate any help you can provide. Olga Sedelnikova Nikolaev Institute of Inorganic Chemistry of SB RAS
eps
Description: Binary data
eps.out
Description: Binary data
nscf
Description: Binary data
scf
Description: Binary data
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