mp-772809/KSnPCO7/harm

Harmonic properties

../../_images/fig_bandos_pr2591.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3132.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2591.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22412.png

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

Summary

../../_images/fig_times4309.png

(a) Computation time