[Pw_forum] phonon free energy
bhabya sahoo
bdslipun at gmail.com
Sun May 29 13:27:15 CEST 2011
sir
i am using quantum espresso 4.3 version
QHA is part of this software
why the phonon free energy is not coming for unstable phases (negative
frequency in phonon spectrum )but it comes when there will be all positive
frequency
for which i canot compare the gibbs free energy of two phases
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