mp-10401/Tl2SnF6/harm

Harmonic properties

../../_images/fig_bandos_pr552.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos479.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo552.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2472.png

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

Summary

../../_images/fig_times818.png

(a) Computation time