Dear all I'm relativity new using QE, I'm working with system under pressure, and I want to know if it's possible relax the cell parameters but with fixed volume.
I mean, I want relax the lattice parameters and the atomic positions, but for a given volume value. Thanks to all Ibarra Hern?ndez Wilfredo Master student Cinvestav, unidad Qu?retaro Qu?retaro, M?xico. -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110128/63275cd0/attachment.htm
