mp-616255-3/In2Sn3S7/harm

Equation of state

../../_images/fig_bm3164.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6021.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8864.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6021.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25812.png

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

Summary

../../_images/fig_times11030.png

(a) Computation time