mp-563000/Co3SnC12BrO12/harm

Harmonic properties

../../_images/fig_bandos_pr7125.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10117.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7125.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26896.png

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

Summary

../../_images/fig_times12713.png

(a) Computation time