Dear QE users, I am a new user of QE and I have been trying to calculate the dielectric function of Silicon using the *epsilon.x. *I am using PAW type pseudopotential and PBE functional. I ran an SCF and an NSCF calculation with nosym =.true., and noinv =.true., and then using the outdirectory of NSCF calculation, I tried running the epsilon.x, but I am getting an error (listed below).
The *input file *for epsilon.x is: &inputpp outdir = './scratch' prefix = 'Si' calculation = 'eps' / &energy_grid smeartype = 'gauss' intersmear = 0.136d0 intrasmear = 0.0d0 wmax = 15.0d0 wmin = 0.0d0 nw = 600 shift = 0.0d0 / But I am getting the following error after running the epsilon.x: *Error:* %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% Error in routine grid_build (1): USPP are not implemented %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%% I would be grateful to you if you could help me understand and solve this issue. Best regards, Mayank Dotiyal PhD Research Scholar Materials engineering IIT Gandhinagar -- *Regards,* *MD*
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