mp-557233/AlTlF4/harm

Harmonic properties

../../_images/fig_bandos_pr8394.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11799.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8394.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28156.png

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

Summary

../../_images/fig_times14741.png

(a) Computation time