[QE-users] epsilon.x

[Fariba Islam]

I have used USPP  Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF
<https://www.quantum-espresso.org/upf_files/Si.rel-pbe-nl-rrkjus_psl.1.0.0.UPF>
to
run scf and nscf for silicon. But when I run the epsilon.x the program
crashes with the following error-
task #         0
     from grid_build : error #         1
     USPP are not implemented

On Sat, Apr 4, 2020 at 7:27 PM Andrea Ferretti <andrea.ferretti at nano.cnr.it>
wrote:

>
>
> Dear Fariba,
>
> epsilon.x works pretty much as a post-pprocessing of pw.x.
> Usually, you need to perform a scf+nscf calculation, and then run
> epsilon.x .
>
> A manual is provided in ~qe/PP/Doc/eps_man.pdf
>
> take care
> Andrea
>
> > Dear all,I wanted to use epsilon.x to find out dielectric constant of
> > materials. But I don't know what are the steps to use epsilon.x or how
> > to write the code. Can anyone help me?
> >
> > Regards
> >
> >
>
> --
> Andrea Ferretti, PhD
> S3 Center, Istituto Nanoscienze, CNR
> via Campi 213/A, 41125, Modena, Italy
> Tel: +39 059 2055322;  Skype: andrea_ferretti
> URL: http://www.nano.cnr.it
>
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