mp-23467/CsSn2Br5/harm

Harmonic properties

../../_images/fig_bandos_pr12692.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17067.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12692.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212388.png

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

Summary

../../_images/fig_times21551.png

(a) Computation time