mp-729933/CO/harm

Equation of state

../../_images/fig_bm1977.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4031.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5379.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4031.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23844.png

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

Summary

../../_images/fig_times6990.png

(a) Computation time