[QE-users] vibrational frequencies

henry odhiambo henod2001 at yahoo.com
Thu May 24 09:19:05 CEST 2018


Hi everyone,

Is it possible to assign vibrational frequencies to individual bonds in an IR calculation; the same way we project the DOS to individual orbitals in band structure calculation.

Thank you.


Henry Odhiambo Otunga
Department of Physics and Materials Science
Maseno University
Kenya


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