[Pw_forum] missing q-points

[Gabriele Sclauzero]

Mehrnaz Anvari wrote:
> Dear all
> I tried to calculate phonon dispersion for graphene in uniform grid 
> (nq1=2, nq2=2, nq3=1). In graphene .dyn0 file exist two points, but 
> after nscf calculations & phonon performance the code couldn't find same 
> q-points so in q2r.x I have this error
> from init : error # 1
> missing q-point(s)!

I understood what you want to do, but not quite how you tried to do it. Please post the 
input files for all the steps you followed and possibly part of the output file where you 
find the error message (as well as the version of QE used), otherwise it would be 
difficult to identify your problem.

GS

> I checked archive & I saw maybe the problem is due to fftw so I install 
> fftw 3.1.2, but yet I have the problem .what can I do?
> Mehrnaz
> Iran University Of Science & Technology
> 
> 
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| Gabriele Sclauzero, PhD Student                  |
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