mp-680015-2/Re3Se7Br7/harm

Harmonic properties

../../_images/fig_bandos_pr5141.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7303.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5141.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24946.png

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

Summary

../../_images/fig_times9216.png

(a) Computation time