[Pw_forum] Doubt in Phonon calculations

Bipul Rakshit bipulrr at gmail.com
Tue Aug 11 14:48:20 CEST 2009


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
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