mp-23492/SiBi12O20/harm

Harmonic properties

../../_images/fig_bandos_pr12706.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17081.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12706.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212402.png

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

Summary

../../_images/fig_times21570.png

(a) Computation time