mp-645291/As3Pb5ClO12/harm

Harmonic properties

../../_images/fig_bandos_pr5583.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7986.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5583.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25384.png

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

Summary

../../_images/fig_times10063.png

(a) Computation time