mp-5928/Al2CdS4/harm

Harmonic properties

../../_images/fig_bandos_pr9769.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13644.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9769.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29526.png

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

Summary

../../_images/fig_times16983.png

(a) Computation time