mp-569512/SbICl8/harm

Harmonic properties

../../_images/fig_bandos_pr7029.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10006.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7029.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26806.png

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

Summary

../../_images/fig_times12560.png

(a) Computation time