mp-24570/Be3As2H4O10/harm

Harmonic properties

../../_images/fig_bandos_pr12443.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16735.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12443.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212142.png

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

Summary

../../_images/fig_times21145.png

(a) Computation time