mp-556154/AsSeS3N5F6/harm

Harmonic properties

../../_images/fig_bandos_pr8459.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11875.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8459.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28221.png

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

Summary

../../_images/fig_times14841.png

(a) Computation time