mp-1225884/CsBH4/harm

Harmonic properties

../../_images/fig_bandos_pr15082.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo15081.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc214698.png

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

Summary

../../_images/fig_times24959.png

(a) Computation time