[Pw_forum] missing q-points

Mehrnaz Anvari anvari_meh at physics.iust.ac.ir
Sat Jun 6 14:15:15 CEST 2009


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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 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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