mp-647575/K2ZnCl4/harm

Equation of state

../../_images/fig_bm2724.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5595.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8004.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5595.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25396.png

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

Summary

../../_images/fig_times10084.png

(a) Computation time