mp-28144-2/SiBi2O5/harm

Equation of state

../../_images/fig_bm5716.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11721.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15724.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11721.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211432.png

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

Summary

../../_images/fig_times19912.png

(a) Computation time