mp-1205554/Tl3GaF6/harm

Harmonic properties

../../_images/fig_bandos_pr15415.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19792.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15414.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215018.png

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

Summary

../../_images/fig_times25491.png

(a) Computation time