mp-759680-2/LiSi2BiO6/harm

Equation of state

../../_images/fig_bm1363.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3076.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3982.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3076.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22896.png

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

Summary

../../_images/fig_times5288.png

(a) Computation time