<html><head><style type='text/css'>p { margin: 0; }</style></head><body><div style='font-family: Times New Roman; font-size: 12pt; color: #000000'><span>Hi, <br>My name is Daniel Aguiar, and I'm a beginner in Theoretical Calculations.<br></span><span id="result_box" class="short_text" lang="en"><span class="hps">I'm having some troubles</span> <span class="hps">with</span> <span class="hps">the</span> <span class="hps">gipaw.x calculations</span><span class="hps">. <br>The pw.x was sucessed (JOB DONE!!).<br>But in gipaw.x the following mensage appear:<br><br> At line 174 of file paw_gipaw.f90 (unit = 14, file = '')<br> Fortran runtime error: File '' does not exist<br><br><br>I verified in paw_gipaw.f90 and the line is:<br><br> OPEN ( 14, FILE = filerec_sp )<br><br>What's wrong?<br><br>My nmr input is following below:<br> <br>&inputgipaw<br> job = 'nmr'<br> prefix = 'ADAMANTANE-rev-PBE-vdW-nmr'<br> tmp_dir = '/home/daniel/Softwares/espresso-4.3/tmp/'<br> isolve = 0<br> iverbosity = 1<br> q_gipaw = 0.01<br> spline_ps = .true.<br> use_nmr_macroscopic_shape = .false.<br>/<br></span></span><span id="8daba029-9cb5-46d1-a651-7c5dd2b04618"><br><br>Thanks in advance and sorry for bad english<br>-- <br>Daniel Lima Marques de Aguiar<br>Universidade Federal do Rio de Janeiro / Centro de Tecnologia<br>Instituto de Química<br>Programa de Pós Graduação em Química<br>Laboratório de Ressonância Magnética Nuclear - Salas 605/608/614<br></span></div></body></html>