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

[于海林]

Dear Paolo,
   Thank your for your reply. Now, I want to know how to apply Acoustic Sum Rule correction?  Thank you in advance!
 
Best Regards!
 
Yu Hailin



At 2015-03-04 20:28:40, "Paolo Giannozzi" <paolo.giannozzi at uniud.it> wrote:>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 delleScienze 208, 33100 Udine, Italy> Phone +39-0432-558216, fax +39-0432-558222 >>_______________________________________________>Pw_forum mailing list>Pw_forum at pwscf.org>http://pwscf.org/mailman/listinfo/pw_forum
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