mp-29628-2/Na4SnS4/harm

Equation of state

../../_images/fig_bm5500.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11272.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15234.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11272.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210988.png

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

Summary

../../_images/fig_times19240.png

(a) Computation time