mp-866943-2/Ca2SnS4/harm

Equation of state

../../_images/fig_bm460.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1304.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1223.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1304.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21165.png

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

Summary

../../_images/fig_times1958.png

(a) Computation time