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" <[email protected]> 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
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