mp-757082-2/LiSi3BiO8/harm

Harmonic properties

../../_images/fig_bandos_pr3113.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4061.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3113.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22932.png

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

Summary

../../_images/fig_times5375.png

(a) Computation time