mp-8224/CaSnF6/harm

Harmonic properties

../../_images/fig_bandos_pr2089.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2133.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2089.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21910.png

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

Summary

../../_images/fig_times3209.png

(a) Computation time