[Pw_forum] Fwd: Basic Relax Calculation issues
Paolo Giannozzi
paolo.giannozzi at uniud.it
Fri Mar 7 08:56:44 CET 2014
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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