mp-866810-2/Ca2SnS4/harm

Equation of state

../../_images/fig_bm606.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1640.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1578.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1640.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21473.png

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

Summary

../../_images/fig_times2463.png

(a) Computation time