[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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