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Dear all,<br>
<br>
The D3 code computes the 3rd derivatives of the potential in
reciprocal space as well as complex calculations.<br>
What I need is just the 3rd derivatives of the potential in real
space. <br>
From the manual the code must compute them.<br>
I'm wondering whether this intermediate calculation is printed out.
<br>
I actually, did not find any information about the output
format/content.<br>
Has anyone enough experiences with D3 to shed some light on this
matter?<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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