mp-27600/Cd3P2O8/harm

Harmonic properties

../../_images/fig_bandos_pr12159.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16270.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12159.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211860.png

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

Summary

../../_images/fig_times20603.png

(a) Computation time