[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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