mp-10347-2/CsCa2Ta3O10/harm

Harmonic properties

../../_images/fig_bandos_pr542.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos472.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo542.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2462.png

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

Summary

../../_images/fig_times807.png

(a) Computation time