[Pw_forum] q2r.x

[Eyvaz Isaev]

Hi Vasse, 

I am not sure that it is possible directly. Probalby
you have to edit q2r.F90 in order be able to read your
 input file. But I am afraid in this case you can meet
problem with the FFT transormation.   

Regards,
Eyvaz.

--- Vasse chis <cvasse at hotmail.com> wrote:
> Hi.
> 
> Could somebody tell me if one have made phonon
> calculations on a 
> not-generated Monkhorst-Pack grid, how the points of
> the grid could be 
> inserted in the q2r.x input file.
> thus, instead of nr1=#,nr2=#,nr3=#, if one could
> insert a list of k-points?
> 
> Thanks.
> Best regards Vasse
> 
>
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