mp-13997/RbAlF4/harm

Harmonic properties

../../_images/fig_bandos_pr15029.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19372.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15028.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214646.png

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

Summary

../../_images/fig_times24870.png

(a) Computation time