[Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '')

[Davide Ceresoli]

Dear Daniel,
     this is a fallback situation. When GIPAW pseudopotentials
are not available, the code will try to read the 'Paratec
reconstruction file'. We did this in the beginning in order
to debug the code and make sure we obtained the same results
of Paratec. This feature will be removed soon and a clearer
error message will be printed.

Cheers,
     Davide


On 01/-10/-28163 08:59 PM, Daniel Lima wrote:
> Hi,
> My name is Daniel Aguiar, and I'm a beginner in Theoretical Calculations.
> I'm having some troubles with the gipaw.x calculations.
> The pw.x was sucessed (JOB DONE!!).
> But in gipaw.x the following mensage appear:
>
> At line 174 of file paw_gipaw.f90 (unit = 14, file = '')
> Fortran runtime error: File '' does not exist
>
>
> I verified in paw_gipaw.f90 and the line is:
>
> OPEN ( 14, FILE = filerec_sp )
>
> What's wrong?
>
> My nmr input is following below:
>
> &inputgipaw
> job = 'nmr'
> prefix = 'ADAMANTANE-rev-PBE-vdW-nmr'
> tmp_dir = '/home/daniel/Softwares/espresso-4.3/tmp/'
> isolve = 0
> iverbosity = 1
> q_gipaw = 0.01
> spline_ps = .true.
> use_nmr_macroscopic_shape = .false.
> /