mp-556386/KNa3WO5/harm

Harmonic properties

../../_images/fig_bandos_pr8516.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11967.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8516.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28278.png

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

Summary

../../_images/fig_times14946.png

(a) Computation time