mp-567722-2/Ca7NbSi2N9/harm

Equation of state

../../_images/fig_bm3816.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7198.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10184.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7198.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26966.png

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

Summary

../../_images/fig_times12812.png

(a) Computation time