mp-557833/TiAg8S6/harm

Harmonic properties

../../_images/fig_bandos_pr8197.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11528.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8197.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27959.png

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

Summary

../../_images/fig_times14425.png

(a) Computation time