mp-559602/AgSbS16F6/harm

Harmonic properties

../../_images/fig_bandos_pr7952.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11181.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7952.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27714.png

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

Summary

../../_images/fig_times14024.png

(a) Computation time