mp-1078498/ZnCu2SiTe4/harm

Harmonic properties

../../_images/fig_bandos_pr16877.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21189.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16876.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216431.png

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

Summary

../../_images/fig_times27527.png

(a) Computation time