mp-866827/Ca3Sn2S7/harm

Harmonic properties

../../_images/fig_bandos_pr1644.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1579.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1644.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21477.png

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

Summary

../../_images/fig_times2467.png

(a) Computation time