mp-545630/K4CO4/harm

Harmonic properties

../../_images/fig_bandos_pr9386.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13162.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9386.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29148.png

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

Summary

../../_images/fig_times16354.png

(a) Computation time