[Pw_forum] calculating the third-order expansion coefficients

[Paolo Giannozzi]

PHonon/examples/example13/README contains some info.
The link to the PhD thesis repository is broken:
the correct link is http://digitallibrary.sissa.it

Paolo

On Fri, 2014-07-04 at 08:38 +0800, Éric Germaneau wrote:
> 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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