[Pw_forum] Fwd: Basic Relax Calculation issues
Paolo Giannozzi
paolo.giannozzi at uniud.it
Fri Mar 7 11:54:06 CET 2014
On Fri, 2014-03-07 at 17:25 +0800, Zarah Baiyee wrote:
> Apologies this is the error message:
> Error in routine read_namelists (5010):
> reading namelist cell
there is an error in namelist cell (hint: namelist cell
starts with "&cell", ends with "/")
P.
> Thank you for your response.
>
>
> Kind Regards
>
>
> Zarah
>
>
> On Fri, Mar 7, 2014 at 3:56 PM, Paolo Giannozzi
> <paolo.giannozzi at uniud.it> wrote:
> On Fri, 2014-03-07 at 14:49 +0800, Zarah Baiyee wrote:
>
> > I am currently having a few issues with VC-Relax input
> > files and cannot seem to get them to work, please find
> > attached. I consistently get an error:
> >
> > Error in routine dos (1):
> > reading dos namelist
>
>
> this happens during the calculation of the density of
> states (code dos.x), not during the variable-cell
> optimization (code pw.x)
>
> P.
>
> --
> Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
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--
Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222
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