[Pw_forum] about decomoposition of the atomic contribution to the vibrational density of states
li niu
niuli1978 at yahoo.com.cn
Mon Jun 25 08:18:44 CEST 2007
Dear PWSCF co-users,
I am facing the following confusion in using PWSCF.
Some papers mention about decomoposition of the atomic contribution to the vibrational density of states in stretching, bending and rocking components.[PRB 69,235102(2004)]
how does one extract the density of states accociated to the C-C bond stretching and bending?
APPLED PHYSICS LETTERS 75,644(1999)
I am looking forward to your reply.Thank you very much.
Best regards,
Sincerely,
Niu Li
harbin Institute of Technology
China
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