mp-698122/K3H3S2O8F2/harm

Harmonic properties

../../_images/fig_bandos_pr4713.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6547.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4713.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24524.png

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

Summary

../../_images/fig_times8360.png

(a) Computation time