how can anybody, without knowing what the system is, what the input is, what the output is? SB
On Jun 22, 2010, at 7:25 AM, Ahmet Cicek wrote: > Dear all, > > I am carrying out geometry optimization on 6H-SiC slabs comprising 12 or 24 > atoms using BFGS algorithm. However, computations freeze at some point for > either LDA or GGA without any error. Since the computations freeze at the > same iteration when restarted from the same configuration, I think I have a > problem related to my input but not to network connection. Could anyone help > me resolve this issue? > > Thank you very much, > > Ahmet Cicek > Department of Physics > Faculty of Arts and Sciences > Akdeniz University > Campus, 07058 > Antalya/Turkey > > Phone: +90-242-3102283 > Fax: +90-242-3102283 > e-mail: acicek at akdeniz.edu.tr > _______________________________________________ > Pw_forum mailing list > Pw_forum at pwscf.org > http://www.democritos.it/mailman/listinfo/pw_forum --- Stefano Baroni - SISSA & DEMOCRITOS National Simulation Center - Trieste http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype) La morale est une logique de l'action comme la logique est une morale de la pens?e - Jean Piaget Please, if possible, don't send me MS Word or PowerPoint attachments Why? See: http://www.gnu.org/philosophy/no-word-attachments.html -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100622/6df4d8ce/attachment.htm
