hi,
I am a new user of quantum espresso. I found your address from your mail to pw_forum at pwscf.org. I want to relax a structure with 32 atoms carbon and topological defect.Now, the program is running and 24 step of relaxation calculation has done but the structure hasn?t relax. Is it correct that I stop running ?the program and change the position of atoms ? thanks. somayeh fotoohi -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20120112/f41f5469/attachment.htm
