mp-604773/Mo8P9H56N12ClO56/harm

Harmonic properties

../../_images/fig_bandos_pr6271.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9135.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6271.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26061.png

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

Summary

../../_images/fig_times11381.png

(a) Computation time