mp-24674/Be3P2H4O10/harm

Equation of state

../../_images/fig_bm6187.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12467.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16774.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12467.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212166.png

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

Summary

../../_images/fig_times21187.png

(a) Computation time