mp-554236-2/Ca5P3ClO12/harm

Equation of state

../../_images/fig_bm4513.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8943.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12617.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8943.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28704.png

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

Summary

../../_images/fig_times15679.png

(a) Computation time