mp-12485-2/NaSm3SiS7/harm

Harmonic properties

../../_images/fig_bandos_pr15644.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20040.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15643.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215239.png

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

Summary

../../_images/fig_times25818.png

(a) Computation time