mp-14280-2/Ga2Sn2S5/harm

Equation of state

../../_images/fig_bm7371.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14739.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19111.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14739.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214357.png

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

Summary

../../_images/fig_times24494.png

(a) Computation time