mp-1205684/KScTl2F6/harm

Harmonic properties

../../_images/fig_bandos_pr15422.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19800.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15421.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215025.png

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

Summary

../../_images/fig_times25499.png

(a) Computation time