mp-761745/SrCd2H16Br6O8/harm

Harmonic properties

../../_images/fig_bandos_pr2955.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3714.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2955.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22775.png

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

Summary

../../_images/fig_times5005.png

(a) Computation time