mp-677011-2/K4BaTa6Si4O26/harm

Harmonic properties

../../_images/fig_bandos_pr5085.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7197.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5085.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24890.png

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

Summary

../../_images/fig_times9099.png

(a) Computation time