mp-7909-2/Al2CdTe4/harm

Equation of state

../../_images/fig_bm2191.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4369.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6136.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4369.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24182.png

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

Summary

../../_images/fig_times7791.png

(a) Computation time