mp-12343/CsSmZnTe3/harm

Harmonic properties

../../_images/fig_bandos_pr15609.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20016.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15608.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215204.png

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

Summary

../../_images/fig_times25775.png

(a) Computation time