[QE-users] Infinity values in epsi and epsr files

[Olga Sedelnikova]

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
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