mp-28439/KSc2F7/harm

Harmonic properties

../../_images/fig_bandos_pr11846.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15874.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11846.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211557.png

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

Summary

../../_images/fig_times20106.png

(a) Computation time