mp-775217-2/CoSb3P6O24/harm

Equation of state

../../_images/fig_bm1204.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2443.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2878.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2443.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22264.png

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

Summary

../../_images/fig_times4019.png

(a) Computation time