[QE-users] epsilon.x

Fariba Islam ezqhaz at gmail.com
Tue Apr 7 17:45:38 CEST 2020


  I am sorry I misunderstood the error, I thought it said I need to use
USPP. But it said otherwise.
Thanks for your help.

On Tue, Apr 7, 2020 at 9:38 PM Nicola Marzari <nicola.marzari at epfl.ch>
wrote:

> On 07/04/2020 17:32, Fariba Islam wrote:
> > 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
>
> What is the problem, in your opinion?
>
>                         nicola
>
>
> ----------------------------------------------------------------------
> Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
> Director, National Centre for Competence in Research NCCR MARVEL, EPFL
> http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
>
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