mp-562267/Co4SnC16O16/harm

Harmonic properties

../../_images/fig_bandos_pr7460.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10497.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7460.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27224.png

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

Summary

../../_images/fig_times13209.png

(a) Computation time