mp-18572/KErP4O12/harm

Harmonic properties

../../_images/fig_bandos_pr13551.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17912.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13551.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213179.png

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

Summary

../../_images/fig_times22793.png

(a) Computation time