mp-989537/Cs2TlInF6/harm

Harmonic properties

../../_images/fig_bandos_pr810.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos720.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo810.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2709.png

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

Summary

../../_images/fig_times1215.png

(a) Computation time