mp-643359/Rb2SnH12N6/harm

Harmonic properties

../../_images/fig_bandos_pr5495.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7895.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5495.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25297.png

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

Summary

../../_images/fig_times9931.png

(a) Computation time