mp-23535/K2ZnBr4/harm

Harmonic properties

../../_images/fig_bandos_pr12732.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17110.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12732.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212428.png

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

Summary

../../_images/fig_times21606.png

(a) Computation time