mp-753309-2/Bi2OF4/harm

Equation of state

../../_images/fig_bm1954.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3992.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5315.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3992.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23805.png

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

Summary

../../_images/fig_times6915.png

(a) Computation time