mp-773003/Er2P4O13/harm

Harmonic properties

../../_images/fig_bandos_pr2333.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2692.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2333.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22154.png

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

Summary

../../_images/fig_times3826.png

(a) Computation time