mp-734069/BH10C2N5O3/harm

Harmonic properties

../../_images/fig_bandos_pr4085.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5498.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4085.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23898.png

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

Summary

../../_images/fig_times7113.png

(a) Computation time