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

willy kohn willykohn at gmail.com
Fri Dec 5 16:51:54 CET 2008

Hi Paolo:

Thanks a lot for the reply. I tried my best to describe the problem at the
time I wrote the email and I'm still trying to pin down this problem. I just
checked the user's guide and I can add something more in the description. It
happened in both parallel and serial versions with both pgf and gfortran
compilers. Older versions like (3.x.x) could also have the same problem.



On Fri, Dec 5, 2008 at 10:35 AM, Paolo Giannozzi <giannozz at democritos.it>wrote:

> 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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> Pw_forum at pwscf.org
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