mp-1223207/KZnCuTe2/harm

Harmonic properties

../../_images/fig_bandos_pr15330.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19705.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15329.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214936.png

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

Summary

../../_images/fig_times25359.png

(a) Computation time