mp-1190864/BaAu2S4O16/harm

Harmonic properties

../../_images/fig_bandos_pr16024.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20441.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16023.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215619.png

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

Summary

../../_images/fig_times26379.png

(a) Computation time