mp-10175-2/KCdF3/harm

Harmonic properties

../../_images/fig_bandos_pr518.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos459.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo518.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2442.png

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

Summary

../../_images/fig_times776.png

(a) Computation time