mp-568802/KBiP2Se6/harm

Harmonic properties

../../_images/fig_bandos_pr6956.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9944.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6956.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26734.png

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

Summary

../../_images/fig_times12460.png

(a) Computation time