[Pw_forum] Help, about the phonon calculation of GaN.

Paolo Giannozzi paolo.giannozzi at uniud.it
Wed Mar 4 13:28:40 CET 2015


On Tue, 2015-03-03 at 17:24 +0800, 于海林 wrote:

> 1. The frequences of freq ( 1) ~freq (    3)  should be zero, why
> there are not?

http://www.quantum-espresso.org/faq/phonons/#7.2

> 2. The hexagonal GaN is belong to C_6v (6mm) point group, why our
> result is C_3v (3m) point group as above shown?

http://www.quantum-espresso.org/wp-content/uploads/Doc/pw_user_guide/node19.html#SECTION000600190000000000000

Paolo
-- 
 Paolo Giannozzi, Dept. Chemistry&Physics&Environment, 
 Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
 Phone +39-0432-558216, fax +39-0432-558222 




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