Dear PWSCF users, I am doing electronic and phonon calculations on LaSb in its zero and high pressure. The LaSb around 10GPa shows a phase transition from B1 to tetragonal (BCT) structure.
So I want to calculate the phonon properties of LaSb at BCT structure at 10GPa. So can anybody tell me what I have to put in my input file to put a pressure of 10GPa so that I can get all +ve frequencies at BCT structure? regards -- Bipul Rakshit PhD Student, Barkatullah University, Bhopal 462026, MP, India -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20090603/f8f55fb4/attachment.htm
