[Pw_forum] Is it possible to calculate the phonon dos for each branch?

Eyvaz Isaev eyvaz_isaev at yahoo.com
Mon May 31 16:15:58 CEST 2010


Dear Amit,

--- On Mon, 5/31/10, Yamit <amit99266 at rediffmail.com> wrote:
> Is it possible to calculate the phonon dos(density of states) for each 
> Phonon Branch separately using "matdyn.x"?

No. But, in fact, it can be done using QHA, though it is not included in its current version. Just to note "branch" in the program is a band from e_min(band) to e_max(band).   
 
Bests,
Eyvaz.

-------------------------------------------------------------------
Prof. Eyvaz Isaev, 
Department of Physics, Chemistry, and Biology (IFM), Linkoping University, Sweden 
Theoretical Physics Department, Moscow State Institute of Steel & Alloys, Russia, 
isaev at ifm.liu.se, eyvaz_isaev at yahoo.com



      




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