mp-726097-2/ErP3O6/harm

Harmonic properties

../../_images/fig_bandos_pr4201.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5765.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4201.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24014.png

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

Summary

../../_images/fig_times7394.png

(a) Computation time