mp-12160-2/Li6HoB3O9/harm

Harmonic properties

../../_images/fig_bandos_pr15561.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19972.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15560.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215156.png

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

Summary

../../_images/fig_times25719.png

(a) Computation time