mp-540689-2/Ba2SnS4/harm

Equation of state

../../_images/fig_bm4839.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9705.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13577.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9705.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29466.png

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

Summary

../../_images/fig_times16884.png

(a) Computation time