mp-706405/CdP2H4O8/harm

Harmonic properties

../../_images/fig_bandos_pr4456.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6254.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4456.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24269.png

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

Summary

../../_images/fig_times7943.png

(a) Computation time