mp-616521-2/AgC2N3/harm

Equation of state

../../_images/fig_bm3170.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6029.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8876.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6029.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25820.png

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

Summary

../../_images/fig_times11045.png

(a) Computation time