mp-733853-2/K2HI2ClO6/harm

Equation of state

../../_images/fig_bm2023.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4081.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5483.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4081.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23894.png

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

Summary

../../_images/fig_times7097.png

(a) Computation time