[Pw_forum] error in phonon calculation
Andrey V. Ivanov
a_ivanov at td.lpi.ru
Mon May 2 12:17:35 CEST 2005
Dear PWSCF users,
When I calculated phonon spectrum in Ca for phonon DOS,I have a error in
some points:
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%
from phq_init : error # 1
wrong order of k points
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%
This error appears when I calculate ph-file. I calculate phonon spectrum in
automatic generate points for mesh 8 8 8 0 0 0. And in some points I have
this error, but in others points this error did'nt appear.
Please, help me
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