[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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