mp-7615/Rb3TlF6/harm

Harmonic properties

../../_images/fig_bandos_pr4598.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6421.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4598.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24410.png

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

Summary

../../_images/fig_times8183.png

(a) Computation time