[Pw_forum] nscf error

Hashem Al-Yamani hashem.yamani at gmail.com
Sat Jun 16 15:12:22 CEST 2007


Dear All ;

While doing a nscf calculation  in order to plot PDOS for IrO2 by using
K_POINTS [automatic] option, it gave the following error :


 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     from efermit : error #         1
     unexpected error
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...



Any one has any Ideas ???



Thanks alot ;

Regards ;
Hashem
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