mp-12021-2/AgBF4/harm

Harmonic properties

../../_images/fig_bandos_pr15550.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19958.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15549.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215145.png

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

Summary

../../_images/fig_times25704.png

(a) Computation time