mp-1189091/K3B6ClO10/harm

Harmonic properties

../../_images/fig_bandos_pr15900.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20314.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15899.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215495.png

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

Summary

../../_images/fig_times26197.png

(a) Computation time