mp-1190487/Na2ZnSn2S6/harm

Harmonic properties

../../_images/fig_bandos_pr15989.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20402.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15988.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215584.png

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

Summary

../../_images/fig_times26329.png

(a) Computation time