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Dear all,<br>
<br>
I'm trying to understand how to use D3 code in order to calculate
the third-order expansion coefficients.<br>
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_ .<br>
Can someone provide some references about since?<br>
<br>
Thank you,<br>
<br>
Éric.<br>
<br>
<div class="moz-signature">-- <br>
<font color="#000066">
Éric Germaneau (艾海克), Specialist<br>
Center for High Performance Computing<br>
Shanghai Jiao Tong University<br>
Room 205 Network Center, 800 Dongchuan Road, Shanghai 200240
China<br>
<a class="moz-txt-link-abbreviated" href="mailto:M:germaneau@sjtu.edu.cn">M:germaneau@sjtu.edu.cn</a> P:+86-136-4161-6480
W:<a class="moz-txt-link-freetext" href="http://hpc.sjtu.edu.cn">http://hpc.sjtu.edu.cn</a>
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