[Pw_forum] calculate third-order derivative of energy by D3

[Mingxing Chen]

Dear all,

Did anybody modify the PWSCF for calculations of the third-order derivative
of energy on a general Qpoint configuration? Do you mind share the code with
me? Any suggestion will be appreciated. Thanks a lot.

Best regards,

Mingxing Chen

-- 

Mingxing Chen,
Institute for Physical Chemistry
University of Vienna
Email: mxchen.2011 at gmail.com <mingxing.chen at univie.ac.at>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20110324/12a348b4/attachment.html>