mp-17747-2/Y3CuSnS7/harm

Equation of state

../../_images/fig_bm7011.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14005.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18387.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14005.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213633.png

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

Summary

../../_images/fig_times23440.png

(a) Computation time