mp-756672-2/Li4Si4Bi2O13/harm

Harmonic properties

../../_images/fig_bandos_pr3350.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4444.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3350.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23169.png

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

Summary

../../_images/fig_times5800.png

(a) Computation time