mp-23467-2/CsSn2Br5/harm

Equation of state

../../_images/fig_bm6328.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12693.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17068.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12693.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212389.png

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

Summary

../../_images/fig_times21552.png

(a) Computation time