mp-1019797/K5BS4O16/harm

Harmonic properties

../../_images/fig_bandos_pr67.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos77.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo67.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc266.png

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

Summary

../../_images/fig_times117.png

(a) Computation time