mp-680722/As2Pb14Cl4O17/harm

Harmonic properties

../../_images/fig_bandos_pr5180.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7376.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5180.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24985.png

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

Summary

../../_images/fig_times9304.png

(a) Computation time