mp-27863/AlClO/harm

Harmonic properties

../../_images/fig_bandos_pr11940.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15984.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11940.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211645.png

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

Summary

../../_images/fig_times20250.png

(a) Computation time