[QE-users] Regarding bands Calculation

Satyasiban Dash ph19d005 ph19d005 at smail.iitm.ac.in
Sat Jan 23 13:27:37 CET 2021


I am attaching bands.x output,pw.x bans calculation,nscf and scf input and
output
respectively.

Thank You.

On Sat, Jan 23, 2021 at 5:46 PM Lorenzo Paulatto <paulatz at gmail.com> wrote:

> You should also attach the output, and all the previous steps (scf, nscf).
> As far as I can tell, it could just be that you did not run pw.x before.
> cheers
>
> --
> Lorenzo Paulatto - Paris
> On Jan 23 2021, at 11:46 am, Satyasiban Dash ph19d005 <
> ph19d005 at smail.iitm.ac.in> wrote:
>
> Dear members,
>  I am traying to calculate the band structure but it was crash ,I am
> attaching the band,x input file please take a look and suggest.
>
> Thank You.
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