[Pw_forum] problems with q2r.x executable
elie.moujaes at hotmail.co.uk
Mon Feb 7 14:06:25 CET 2011
Thanks very much for your reply. I just repeated the calculations and it worked quite well.
University of Nottingham
> From: giannozz at democritos.it
> Date: Fri, 4 Feb 2011 22:14:33 +0100
> To: pw_forum at pwscf.org
> Subject: Re: [Pw_forum] problems with q2r.x executable
> On Feb 4, 2011, at 14:38 , Elie Moujaes wrote:
> > the first three which should be .51, .52 and .53 files
> > are all produced with the same name a2Fq2r and they
> > appear as WORD files whilst the others are ok.
> you need to go into the code where it opens those files
> and see what happens. There is no way anybody else
> can find an explanation for such an unlikely event without
> looking more closely.
> Paolo Giannozzi, Dept of Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
> Pw_forum mailing list
> Pw_forum at pwscf.org
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the users