[Pw_forum] Strange things when calculating bands using pw.x

Paolo Giannozzi giannozz at democritos.it
Fri Dec 5 16:35:35 CET 2008


willy kohn wrote:

> When the nbnd is set over 100, the program stuck in some 
> k-points indefinitely. The program didn't give any error  
> messages but just stopped response. I'm wondering if somebody 
> has similar experiences and can tell what happend.

on the basis of such a vague description, all one can say is
what is written in the "troubleshooting" section of the user
guide, under "pw.x runs but nothing happens"

Paolo
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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