mp-753711/Ca3P2O8/harm

Harmonic properties

../../_images/fig_bandos_pr3722.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4967.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3722.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23538.png

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

Summary

../../_images/fig_times6468.png

(a) Computation time