[Pw_forum] unstable bcc phase in titanium

Uri Argaman argamanu at post.bgu.ac.il
Thu Oct 31 16:28:44 CET 2013


I do a phonon calculation for titanium (with the ph.x). For the beta phase
(bcc), I get negative frequencies in all pressures. It is known from the
literature that the beta phase in titanium is stable only in high
temperatures. What can I do to calculating the phonon spectrum in high
temperatures?
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