mp-555217-2/Dy3Se4O12F/harm

Harmonic properties

../../_images/fig_bandos_pr8882.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12517.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8882.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28643.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times15571.png

(a) Computation time