mp-695927/Ca2AlH10ClO8/harm

Harmonic properties

../../_images/fig_bandos_pr4857.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6759.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4857.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24666.png

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

Summary

../../_images/fig_times8612.png

(a) Computation time