mp-1189227/NaAlP2S6/harm

Harmonic properties

../../_images/fig_bandos_pr15910.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20320.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15909.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215505.png

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

Summary

../../_images/fig_times26208.png

(a) Computation time