mp-23317-2/AsBr3/harm

Harmonic properties

../../_images/fig_bandos_pr12990.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17373.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12990.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212671.png

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

Summary

../../_images/fig_times21967.png

(a) Computation time