[Pw_forum] pw.x does not work

Pablo García Risueño garcia.risueno at gmail.com
Mon Sep 17 11:24:57 CEST 2012


Dear Paolo

Did you download this version with svn? Could you explain me how you did it?

Best


2012/9/17 Paolo Giannozzi <giannozz at democritos.it>

> On Mon, 2012-09-17 at 10:56 +0200, Pablo García Risueño wrote:
>
> > I also tried with calculation='scf' in the control block (I think
> >  it is actually default)
>
> it is
>
> > but the result is the same (actually I think I am running the version
> 2.1.4)
>
> released 2005-06-17 ... anyway: it compiles and work, at least for the
> first case you sent (simple Si). Unless, of course, it is a locally
> modified version, as some additional lines in the output seem to
> indicate,
>
> P.
> ---
>
> Paolo Giannozzi, IOM-Democritos and University of Udine, Italy
>
>
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>



-- 
--

Dr. Pablo García Risueño

Institut für Physik, Humboldt Universität, Newtonstrasse 15 (Claudia-Draxl
Group), 12489 Berlin, Germany

Tel. +49 030 20937904
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