mp-559185/Li8Bi2Mo7O28/harm

Harmonic properties

../../_images/fig_bandos_pr7876.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11055.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7876.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27639.png

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

Summary

../../_images/fig_times13879.png

(a) Computation time