[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
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Paolo Giannozzi, Dept. Chemistry&Physics&Environment,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
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