mp-569883/Rb2P3Se6/harm

Harmonic properties

../../_images/fig_bandos_pr7069.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10045.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7069.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26845.png

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

Summary

../../_images/fig_times12617.png

(a) Computation time