mp-557631/AgAsXe2F10/harm

Harmonic properties

../../_images/fig_bandos_pr8141.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11448.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8141.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27903.png

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

Summary

../../_images/fig_times14336.png

(a) Computation time