mp-560528/K2CeP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr7508.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10570.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7508.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27272.png

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

Summary

../../_images/fig_times13296.png

(a) Computation time