mp-989526/Cs2KTlF6/harm

Harmonic properties

../../_images/fig_bandos_pr801.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos710.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo801.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2701.png

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

Summary

../../_images/fig_times1204.png

(a) Computation time