mp-863678/KZn4Sb3O12/harm

Harmonic properties

../../_images/fig_bandos_pr1527.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1439.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1527.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21374.png

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

Summary

../../_images/fig_times2284.png

(a) Computation time