[QE-users] DOS and PDOS not same

dv009200 at fh-muenster.de dv009200 at fh-muenster.de
Wed Mar 6 09:58:59 CET 2019


In projwfc.x the tetrahedron method for occupations is presently not
implemented (but in dos.x it is). Maybe that could be the reason for the
difference? You could try the nscf calculation with another option for the
occupation parameter (or even leave it out).

Regards

Dominik

M.Sc. Dominik Voigt
PhD Student Münster University of Applied Sciences
Email: dv009200 at fh-muenster.de

> DOS and Total PDOS arent same...can i get any help???
>
>
> Shishir Timilsena
> St. Xavier's College
> Kathamandu, Nepal
>
> On Mon, Mar 4, 2019 at 8:32 PM Shishir Timilsena <expressgucci at gmail.com>
> wrote:
>
>> DOS and Total PDOS arent same...can i get any help
>>
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