mp-866339-2/CdP2O6/harm

Equation of state

../../_images/fig_bm592.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1603.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1532.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1603.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21436.png

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

Summary

../../_images/fig_times2408.png

(a) Computation time