mp-1191979/RbTlF4/harm

Harmonic properties

../../_images/fig_bandos_pr15763.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20125.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15762.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215358.png

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

Summary

../../_images/fig_times25959.png

(a) Computation time