mp-570589/SeBr/harm

Harmonic properties

../../_images/fig_bandos_pr6833.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9796.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6833.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26618.png

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

Summary

../../_images/fig_times12257.png

(a) Computation time