[QE-users] Problem with dos output

[Paolo Giannozzi]

Please provide inputs also for scf and nscf calculations, information on QE
version and execution mode.

On Fri, Mar 19, 2021 at 8:14 AM Savy B <quantum.sim19 at gmail.com> wrote:

> Hello QE users!!
>
> I am trying to found a dos output of a structure. I have used K_POINTS
> (automatic) 4 4 4 0 0 0 for both scf and nscf calculations. I have also
> calculated the bands for the structure, but when I want to calculate the
> dos the following error is showing. Kindly help me with the process. I am
> also attaching my dos input.
>
> Error:
> tetrahedra integration selected on input can only be used with automatic
> uniform k_point meshes.
>
> DOS input:
>
> &DOS
>     outdir='./outdir'
>     prefix='mos'
>     fildos='mos.dos.dat'
> /
>
> Kindly help me to overcome this issue.
>
> Sincerely,
> Savy.
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-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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