mp-16108-2/Cs3P6N11/harm

Equation of state

../../_images/fig_bm7194.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14385.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18761.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14385.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214010.png

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

Summary

../../_images/fig_times23984.png

(a) Computation time