mp-760655/Li3BiP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr2921.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3647.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2921.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22741.png

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

Summary

../../_images/fig_times4934.png

(a) Computation time