mp-554554-2/K9BiP4S16/harm

Harmonic properties

../../_images/fig_bandos_pr9024.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12725.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9024.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28786.png

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

Summary

../../_images/fig_times15804.png

(a) Computation time