Dear All, I want to relax the lattice parameters of a orthorhombic lattice, but one of parameters should be hold fixed and the remaining 2 are free to relax. how can i perform this task in PWscf?
Any help would be appreciated. Regards. ------------------------------------------------------------------- Mohammad Saghayezhian Computational Condensed Matter Research Lab Physics Department, Isfahan University of Technology, Isfahan, Iran Tel lab: +98 311 391 3731 Fax Office: +98311 391 3746 ------------------------------------------------------------------- -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100826/eace7f71/attachment.htm
