The calculation of third-order force constants is done now in package "D3Q". See https://anharmonic.github.io/. "make d3q" should work, or at least, it used to work some time ago.
Paolo On Thu, Nov 18, 2021 at 3:41 PM Axel Felix Huebner < [email protected]> wrote: > Dear QE community, > > I have a question concerning the PHonon package: I did not find a > documentation concerning the calculation of third order force constants > via DFPT (i.e. not finite displacements). > > Can you tell me, where I can find this? > > Best > Axel Huebner > > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list [email protected] > https://lists.quantum-espresso.org/mailman/listinfo/users > -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 206, 33100 Udine, Italy Phone +39-0432-558216, fax +39-0432-558222
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