[Pw_forum] question on q2r.f90
Guoying Gao
gaoguoying at gmail.com
Thu Dec 6 03:30:11 CET 2007
Dear Stefano,
Thanks for your reply.
> If this is the error you get, some of your q-points does not correspond
> to the grid you declared.
I searched the answers to the question on "q not allowed" in the
archive and got the following suggestions:
(1) generate q-points via PW/kpoint_grid.f90 substitute pwtools/kpoints.f
(2) use>3.0 version
I have generated q-points via PW/kpoint_grid.f90 and I'm testing it
using 3.2 version.
If I have got the succesful results, I will tell you as soon possible.
All the best,
Guoying,
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