mp-1087540-2/CdCu2SiTe4/harm

Harmonic properties

../../_images/fig_bandos_pr17011.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21322.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17010.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216563.png

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

Summary

../../_images/fig_times27718.png

(a) Computation time