mp-655489/Pb4SeBr6/harm

Harmonic properties

../../_images/fig_bandos_pr5343.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7680.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5343.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25148.png

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

Summary

../../_images/fig_times9658.png

(a) Computation time