mp-580541/Cs2NaSmCl6/harm

Harmonic properties

../../_images/fig_bandos_pr6751.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9700.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6751.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26540.png

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

Summary

../../_images/fig_times12123.png

(a) Computation time