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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