mp-733853/K2HI2ClO6/harm

Harmonic properties

../../_images/fig_bandos_pr4080.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5482.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4080.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23893.png

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

Summary

../../_images/fig_times7096.png

(a) Computation time