mp-1190488/Al4CdO7/harm

Harmonic properties

../../_images/fig_bandos_pr15990.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20403.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15989.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215585.png

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

Summary

../../_images/fig_times26330.png

(a) Computation time