[Pw_forum] (no subject)

bhabya sahoo bdslipun at gmail.com
Tue May 31 19:54:56 CEST 2011


i am using quantum espresso
can u how to know the gibbs free energy for unstable phases by any means in
the quasi harmonic approximation
because i can not the phase transition with temperture
and how can i add anaharmonic contribution to phonon spectrum
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