[Pw_forum] Fwd: Final iteration often crashes after structure optimization

Youssef aharbil at gmail.com
Mon Aug 10 12:15:34 CEST 2015


Dear Ronald,

Strange behavior, it happens here (ggen.f90)  :

 IF (ngm > ngm_g) CALL errore ('ggen', 'too many g-vectors', ngm)

I am not QE developer, but firstly I suggest to lower ecutrho to 280 Ry 
and see!!!

Youssef Aharbil,
Laboratory of Physics and Chemistry of Materials
Faculty of sciences Ben msik, Casablanca
Morocco



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