mp-989565/Rb2TlGaF6/harm

Harmonic properties

../../_images/fig_bandos_pr827.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos735.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo827.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2725.png

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

Summary

../../_images/fig_times1232.png

(a) Computation time