[Pw_forum] Calculation at high pressure

Bipul Rakshit bipulrr at gmail.com
Wed Jun 3 09:30:11 CEST 2009


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
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