mp-557955/Ca3Al4ZnO10/harm

Harmonic properties

../../_images/fig_bandos_pr8227.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11569.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8227.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27989.png

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

Summary

../../_images/fig_times14471.png

(a) Computation time