mp-559112/K2Zn6O7/harm

Harmonic properties

../../_images/fig_bandos_pr7858.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11027.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7858.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27621.png

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

Summary

../../_images/fig_times13850.png

(a) Computation time