mp-723540-2/K6BiH3Cl8F4/harm

Harmonic properties

../../_images/fig_bandos_pr4186.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5736.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4186.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23999.png

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

Summary

../../_images/fig_times7361.png

(a) Computation time