mp-905/LaF3/harm

Harmonic properties

../../_images/fig_bandos_pr467.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos421.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo467.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2393.png

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

Summary

../../_images/fig_times714.png

(a) Computation time