mp-334/LaF3/harm

Harmonic properties

../../_images/fig_bandos_pr363.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos345.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo363.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2300.png

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

Summary

../../_images/fig_times576.png

(a) Computation time