[Pw_forum] At line 174 of file paw_gipaw.f90 (unit = 14, file = '')
Daniel Lima
aguiardlm at iq.ufrj.br
Tue Sep 6 18:56:43 CEST 2011
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.
/
Thanks in advance and sorry for bad english
--
Daniel Lima Marques de Aguiar
Universidade Federal do Rio de Janeiro / Centro de Tecnologia
Instituto de Química
Programa de Pós Graduação em Química
Laboratório de Ressonância Magnética Nuclear - Salas 605/608/614
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110906/cf36e007/attachment.html>
More information about the users
mailing list