mp-555092/K3WS3ClO/harm

Harmonic properties

../../_images/fig_bandos_pr8839.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12453.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8839.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28600.png

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

Summary

../../_images/fig_times15500.png

(a) Computation time