mp-1201848/KVH6SeO9/harm

Harmonic properties

../../_images/fig_bandos_pr15382.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19750.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15381.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214985.png

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

Summary

../../_images/fig_times25434.png

(a) Computation time