[Pw_forum] 2nd and 3rd energy derivatives using DFPT?

[Sabry Gad Al Hak Moustafa]

Hi;

Was wondering if QE can compute 2nd, 3rd and 4th energy derivatives in the
DFPT framework? If so, is available in PAW, or just PPs?

Thanks;
Sabry



==================================================
Sabry G. Moustafa, Ph.D.
Department of Chemical and Biological Engineering
511 Furnas Hall
University at Buffalo, The State University of New York
Buffalo, NY 14260-4200
716-645-1186 (office)
716-239-8543 (cell)
E-mail: sabrygad at buffalo.edu <kofke at buffalo.edu>
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