mp-998929-2/K2O/harm

Equation of state

../../_images/fig_bm298.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr752.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos675.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo752.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2655.png

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

Summary

../../_images/fig_times1139.png

(a) Computation time