[QE-users] How to grnrrate complete q-points from the reduced number of q-points by ph.x executable

[Lorenzo Paulatto]

On 1/30/23 05:46, SPPU/05097P/2021 OYOMO BILL C wrote:
>
> Hello ,
>
> When I run ph. x, it generates 4 q-points, and in the output, I have 
> only dyn0, dyn1, dyn3 and dyn4. My request is to suggest a way to go 
> out of this problem so that I can obtain all complete 8 q-points from 
> the reduced number of q-points. How do I use the  q2qstqr.x executable 
> to do this?
>

In a normal phonon calculation, all the points are generated. Each 
dynamical matrix file contains all the q-point that form a star (i.e. 
more than one, just scroll down). Using q2qstar is only necessary if for 
some reason you only have one q-point, in this case the syntax is

q2qstar.x dynfile

hth


>
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-- 
Dr. Lorenzo Paulatto
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