[Pw_forum] Doubt in Phonon calculations

[Eyvaz Isaev]

Dear Bipul,

Is it OK that you have only 2 symmetry operations?

Bests,
Eyvaz.

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


--- On Tue, 8/11/09, Bipul Rakshit <bipulrr at gmail.com> wrote:

> From: Bipul Rakshit <bipulrr at gmail.com>
> Subject: [Pw_forum] Doubt in Phonon calculations
> To: "PWSCF Forum" <pw_forum at pwscf.org>
> Date: Tuesday, August 11, 2009, 4:48 PM
> Dear PWSCF users,
> I am doing phonon of LaMnO3, which is having 20 atoms in
> the unit cell (After finishing the electronic part)
> I am just calculating the phonon at Gamma point
> for this compound. I have send the relevant input files
> also.
> 
> My doubt is if you see the O/P of phonon (phonon.out) file,
> it seems it is going to calculate all the 60 modes.
> But as far as I know at gamma atleast few modes are
> degenerate and acoustic is zero.
> 
> So kindly look at the input files and tell the possible
> error
> 
> regards
> -- 
> Dr. Bipul Rakshit
> Research Associate,
> S N Bose Centre for Basic Sciences,
> Salt Lake,
> Kolkata 700 098
> India
> 
> 
> -----Inline Attachment Follows-----
> 
> _______________________________________________
> Pw_forum mailing list
> Pw_forum at pwscf.org
> http://www.democritos.it/mailman/listinfo/pw_forum
>