mp-618177/K2ZnCl4/harm

Harmonic properties

../../_images/fig_bandos_pr6046.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8897.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6046.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25837.png

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

Summary

../../_images/fig_times11067.png

(a) Computation time