[Pw_forum] Anharmonic force constants (example 14)

Hua Bao dorabman at gmail.com
Thu Dec 29 23:13:15 CET 2011


Dear QE-users,

I am interested in phonon lifetime calculations.
Before posting this question, I have read the related posts and Debernardi'
thesis.

There two questions. I would really appreciate if anyone can help with any
of these questions.


1. Is it possible to instruct d3.x program to output the third-order force
constants (in the real space)?


2. In the output file si.anh_G, it outputs "Derivative of the force
constants". How is this defined?
If it is the third-order force constant, it should not be assigned to any q
points.
If not, how can I understand this term?


Thanks,
Hua
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