mp-24473/BePH4NO4/harm

Harmonic properties

../../_images/fig_bandos_pr12426.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16709.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12426.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212125.png

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

Summary

../../_images/fig_times21115.png

(a) Computation time