[Pw_forum] calculating the third-order expansion coefficients

[Éric Germaneau]

Dear all,

I'm trying to understand how to use D3 code in order to calculate the 
third-order expansion coefficients.
I ran the example13 provided in PHonon package, however I can't figure 
how to compute the C_{x,y,z} tensor components, B_ and I_ .
Can someone provide some references about since?

Thank you,

                               Éric.

-- 
Éric Germaneau (艾海克), Specialist
Center for High Performance Computing
Shanghai Jiao Tong University
Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240 China
M:germaneau at sjtu.edu.cn P:+86-136-4161-6480 W:http://hpc.sjtu.edu.cn
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