mp-570219/InBr3/harm

Harmonic properties

../../_images/fig_bandos_pr7119.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10106.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7119.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26890.png

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

Summary

../../_images/fig_times12701.png

(a) Computation time