Dear Pablo, I think you'd better show your input file if possible because the given information is too limited.
Best Regards! Yuewen Fang 2012/9/17 Pablo Garc?a Risue?o <garcia.risueno at gmail.com> > Dear Espresso experts > > I am making my first steps in Espresso. Unfortunately, I am still unable > to make it run. After doing $ configure and $ make pw (Espresso 4), > everything is all right. Howver, if I do > > $ /users/sol/risueno/Desktop/espresso-5.0.1-GPU/bin/pw.x < si.scf.in > > si.scf.out > > No error message appears, but the scf calculation is not performed. The > out file ends with: > > Initial potential from superposition of free atoms > > starting charge 9.99966, renormalised to 10.00000 > T F > > Could anybody help me? Thank you very much > > -- > -- > > Dr. Pablo Garc?a Risue?o > > Institut f?r Physik, Humboldt Universit?t, Newtonstrasse 15 (Claudia-Draxl > Group), 12489 Berlin, Germany > > Tel. +49 030 20937904 > > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum > > -- ---- Yue-Wen Fang -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120917/13cc11c4/attachment.htm
