[Pw_forum] band calculation

ehsan targholi targholi at gmail.com
Mon Feb 3 21:50:51 CET 2014


hi
i want to obtain band structure. i use of this method:
scf->nscf->bands
is right my method?
when i do this way the bands calculation give this error:

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine bands (1):
     gamma_only case not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
please help me to solve this problem.

 best regard
ehsan
graduate student of iust
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