[Pw_forum] error scf calculation

[Simon Binnie]

On Thu, 08 Nov 2012 16:15:01 +0100, Said Asma <saidasma1987 at yahoo.fr>  
wrote:

> Dear Quantum Espresso users,
>
>
>  I relaxed the wurtzite structure GaBi then I extracted the new atomic
> positions from the result file relax.out and I included them in the  
> scf.in.
> However, the scf.out gives me the error "from f_mkdir: error # 195  
> invalid character "
>
> Why such a problem occurs?
>
> My input file is as following:
>
>
> &control
>     calculation='scf'
>     prefix='gabiwrelaxé'
>     pseudo_dir = '/home/user/Bureau/pseudo/',
>     outdir='/home/user/Bureau/'
>  /

I would assume this comes form the 'é' character you've supplied in the  
prefix.

Simon


-- 
Simon Binnie | Post Doc, Condensed Matter Sector
Scuola Internazionale di Studi Avanzati (SISSA)
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