mp-1192509/Cs2ThAs2O8/harm

Harmonic properties

../../_images/fig_bandos_pr15795.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20171.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15794.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215390.png

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

Summary

../../_images/fig_times26013.png

(a) Computation time