mp-1226754/CdAsP/harm

Harmonic properties

../../_images/fig_bandos_pr15093.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19456.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15092.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214709.png

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

Summary

../../_images/fig_times24976.png

(a) Computation time