mp-30300/Cs3As5O9/harm

Harmonic properties

../../_images/fig_bandos_pr11099.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15050.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11099.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210821.png

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

Summary

../../_images/fig_times18977.png

(a) Computation time