mp-622020-2/PC3N3/harm

Equation of state

../../_images/fig_bm3203.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6077.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8942.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6077.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25868.png

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

Summary

../../_images/fig_times11116.png

(a) Computation time