mp-1009087/BeSiAs2/harm

Harmonic properties

../../_images/fig_bandos_pr294.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos293.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo294.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2254.png

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

Summary

../../_images/fig_times474.png

(a) Computation time