mp-7909/Al2CdTe4/harm

Harmonic properties

../../_images/fig_bandos_pr4368.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6135.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4368.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24181.png

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

Summary

../../_images/fig_times7790.png

(a) Computation time