[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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> 
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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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