mp-557664/Cs2TlBiF6/harm

Harmonic properties

../../_images/fig_bandos_pr8152.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11464.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8152.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27914.png

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

Summary

../../_images/fig_times14352.png

(a) Computation time