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 Qu?mica Programa de P?s Gradua??o em Qu?mica Laborat?rio de Resson?ncia Magn?tica Nuclear - Salas 605/608/614 -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110906/cf36e007/attachment.htm