mp-1111691/K3TlF6/harm

Harmonic properties

../../_images/fig_bandos_pr16376.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20810.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16375.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215966.png

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

Summary

../../_images/fig_times26877.png

(a) Computation time