mp-565692/K3Bi5P6O24/harm

Harmonic properties

../../_images/fig_bandos_pr7130.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10123.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7130.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26901.png

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

Summary

../../_images/fig_times12719.png

(a) Computation time