[Pw_forum] File Error of GIPAW module

Bingwen Hu bw.hu at yahoo.com
Mon Mar 1 15:43:48 CET 2010


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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