mp-8290/BaSnF6/harm

Harmonic properties

../../_images/fig_bandos_pr2122.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2151.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2122.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21943.png

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

Summary

../../_images/fig_times3247.png

(a) Computation time