the phonon dispersion curves and the force constants

gswylq · Post by **gswylq** » Mon Jul 28, 2014 5:45 pm

Dear all
I'm trying to run the APPA, provided in abinit-7.8.2 package, for the analysis of Molecular Dynamics output files.
The phonon density of states (VDOS) is obtained by using post-processing APPA, but the phonon dispersion curves and the force constants are not achieved.
'Phonon spectrum obtained from trajectories' is mentioned in abinit-7.8.2 package's release_notes.
How can I obtain the phonon dispersion curves and the force constants?

Thanks a lot in advance for your kind help.

Best

Qiang Li