mp-557437/KBiP2S6/harm

Harmonic properties

../../_images/fig_bandos_pr8438.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11849.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8438.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28200.png

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

Summary

../../_images/fig_times14803.png

(a) Computation time