mp-8187/K2ZnO2/harm

Harmonic properties

../../_images/fig_bandos_pr2064.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2121.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2064.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21885.png

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

Summary

../../_images/fig_times3180.png

(a) Computation time