mp-26209/LiBiP2O7/harm

Harmonic properties

../../_images/fig_bandos_pr12224.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16379.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12224.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211923.png

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

Summary

../../_images/fig_times20737.png

(a) Computation time