mp-1223393/KRb2WO3F3/harm

Harmonic properties

../../_images/fig_bandos_pr15339.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19714.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15338.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214944.png

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

Summary

../../_images/fig_times25372.png

(a) Computation time