mp-28018/BeH4N2/harm

Harmonic properties

../../_images/fig_bandos_pr12002.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16062.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12002.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211705.png

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

Summary

../../_images/fig_times20349.png

(a) Computation time