mp-510724/As3Pb5ClO9/harm

Harmonic properties

../../_images/fig_bandos_pr9622.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13442.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9622.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29383.png

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

Summary

../../_images/fig_times16728.png

(a) Computation time