mp-643446/Ca2AlH8S2ClO12F2/harm

Harmonic properties

../../_images/fig_bandos_pr5507.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7909.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5507.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25309.png

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

Summary

../../_images/fig_times9949.png

(a) Computation time