mp-558672/Si3Bi2O9/harm

Harmonic properties

../../_images/fig_bandos_pr8070.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11349.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8070.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27832.png

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

Summary

../../_images/fig_times14225.png

(a) Computation time