mp-757466-2/Li3Si2BiO7/harm

Harmonic properties

../../_images/fig_bandos_pr3162.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4145.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3162.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22981.png

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

Summary

../../_images/fig_times5466.png

(a) Computation time