[QE-developers] Implementation of Dynamical Quadrupoles in DFPT

[Samuel Poncé]

Dear Weiqing Zhou,

One has to distinguish two things here:
1) The calculation of the dynamical quadrupole values from DFPT.
This is currently not implemented in QE and I am not aware of somebody
working on this, but there might be.
2) Adapting QE and EPW to support and use quadrupole once you have computed
them.
For that part, it is already supported in EPW (v5.4) and there is a plan in
the relatively near future to support it in q2r.x and matdyn.x for the
interpolation of phonon bandstructure.

Hope this helps,
Samuel

-- 

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    Dr. Samuel Poncé
    Laboratory of theory and simulation of materials
    Ecole polytechnique fédérale de Lausanne
    Switzerland

    Phone:  +41 21 693 50 10
    email: samuel.ponce at epfl.ch
    web: https://people.epfl.ch/samuel.ponce/?lang=en
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