[Pw_forum] phonon free energy

[bhabya sahoo]

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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.democritos.it/pipermail/pw_forum/attachments/20110529/2eab42c4/attachment.htm