mp-3668/CdGeP2/harm

Harmonic properties

../../_images/fig_bandos_pr10973.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14888.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10973.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210698.png

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

Summary

../../_images/fig_times18753.png

(a) Computation time