[Pw_forum] File Error of GIPAW module

[Bingwen Hu]

Dear Ari Paavo Seitsonen, 

   I have attached the input file for the PWSC. All the pseudo potentials I used are downloaded in the quantum-espresso website http://www.quantum-espresso.org/pseudo.php.
  Thank you for your help in advance.

Best
Bingwen


--- On Mon, 3/1/10, Ari P Seitsonen <Ari.P.Seitsonen at iki.fi> wrote:

From: Ari P Seitsonen <Ari.P.Seitsonen at iki.fi>
Subject: Re: [Pw_forum] File Error of GIPAW module
To: "PWSCF Forum" <pw_forum at pwscf.org>
Date: Monday, March 1, 2010, 10:48 PM


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
> 
> 
> �
-----Inline Attachment Follows-----

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