[Pw_forum] Thermodynamic properties

[Alex Granov]

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 GranovМосковский физико-технический институт (MIPT)Moscow, Russia
 		 	   		  
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