[Wien] band structure error

tran at theochem.tuwien.ac.at tran at theochem.tuwien.ac.at
Wed Mar 5 08:49:42 CET 2014


It seems that your input file case.insp is not ok.

On Wed, 5 Mar 2014, berber mo wrote:

> 
> Dear wien2k community,
> 
> I try to calculate band structure with mBJ model installed in wien2K 13.1
> with 64 atoms supercell
> when I execute x_spaghetti appear this error:
> At line 300 of file spag.f (unit = 30, file = 'case.insp')
> Fortran runtime error: Bad value during integer read
> error:........../wien/spaghetti spaghetti.def failed
>  best regards,
> 
>  
> ---------------------------------------------------------------------------
> ---
> Berber Mohamed
> Applied Materials Laboratory
> Research Center
> Djillali Liabes University
> Sidi Bel Abbes, 22000
> Algeria
> E-mail:berbermohamed at yahoo.fr
> ---------------------------------------------------------------------------
> -
> 
>


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