mp-1103408/HC2N3/harm

Harmonic properties

../../_images/fig_bandos_pr16575.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20954.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16574.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216150.png

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

Summary

../../_images/fig_times27121.png

(a) Computation time