[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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