Dear siesta 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 in Physics Computational Research Lab. Barkatullah University, Bhopal 462 026, India Mob.: +919713445650 Own a website.Get an unlimited package..Pay next to nothing.*Go to http://in.business.yahoo.com/