[Pw_forum] nscf error

Paolo Giannozzi giannozz at nest.sns.it
Sat Jun 16 19:48:29 CEST 2007


On Jun 16, 2007, at 15:12 , Hashem Al-Yamani wrote:

> 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

did you specify enough bands?

Paolo
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Paolo Giannozzi, Democritos and University of Udine, Italy





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