[Pw_forum] File Error of GIPAW module

Ari P Seitsonen Ari.P.Seitsonen at iki.fi
Mon Mar 1 15:48:09 CET 2010


Dear Bingwen,

   Could you please also send the input for the self-consistent job, and 
explain to us which pseudo potentials you used?

     Greetings,

        apsi

-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-
   Ari P Seitsonen / Ari.P.Seitsonen at iki.fi / http://www.iki.fi/~apsi/
   Physikalisch-Chemisches Institut der Universitaet Zuerich
   Tel: +41 44 63 54 497  /  Mobile: +41 79 71 90 935


On Mon, 1 Mar 2010, Bingwen Hu wrote:

> Dear All,
>   I used gipaw to calculate the NMR information and I got an error:
> ---------------------------------------------------------------------------
> -------------------
> At line 174 of file paw_gipaw.f90 (unit = 14, file = '')
> Fortran runtime error: File '' does not exist
> ---------------------------------------------------------------------------
> -------------------
> I have succeeded in running the pw.x.
> 
> The input file for GIPAW is shown below:
> ---------------------------------------------------------------------------
> -------------------
> &inputgipaw
>     job = 'nmr'
>     prefix = 'pwscf'
>     tmp_dir = '/home/bingwen/espresso-4.1.2/PWgui-4.1.1/TMP/'
>     iverbosity = 1
>     q_gipaw = 0.01
>     spline_ps = .true.
>     use_nmr_macroscopic_shape = .true.
> /
> ---------------------------------------------------------------------------
> -------------------
> 
> Thank you in advance for your help.
> 
> Best
> Bingwen
> 
> 
>


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