mp-8187-2/K2ZnO2/harm

Equation of state

../../_images/fig_bm881.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2065.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2122.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2065.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21886.png

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

Summary

../../_images/fig_times3181.png

(a) Computation time