mp-1193817-2/BH4C4N5/harm

Harmonic properties

../../_images/fig_bandos_pr15845.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20248.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15844.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215440.png

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

Summary

../../_images/fig_times26108.png

(a) Computation time