Hi
As I understand from Phonon and QHA examples calculation of entire phonon
dispersion is necessary to calculate and prepare fc file then Thermodynamic
properties like Gibbs energy. I wonder if it is possible to avoid calculating
entire phonon dispersion for a very large system say 160 atoms to calculate its
Gibbs energy or not. I appreciate any help in advance.
-------------------------------------------------Alex Granov??????????
??????-??????????? ???????? (MIPT)Moscow, Russia
-------------- next part --------------
An HTML attachment was scrubbed...
URL:
http://pwscf.org/pipermail/pw_forum/attachments/20131213/57995deb/attachment.html
