mp-1227001/Cd2GaCuSe4/harm

Harmonic properties

../../_images/fig_bandos_pr15100.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19471.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15099.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214716.png

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

Summary

../../_images/fig_times24993.png

(a) Computation time