mp-1112330/K2BiAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16408.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20837.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16407.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215995.png

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

Summary

../../_images/fig_times26909.png

(a) Computation time