[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 
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