mp-12403/LiBF4/harm

Harmonic properties

../../_images/fig_bandos_pr15619.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20026.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15618.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215214.png

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

Summary

../../_images/fig_times25789.png

(a) Computation time