mp-29094/Nd3PO7/harm

Harmonic properties

../../_images/fig_bandos_pr11392.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15383.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11392.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211108.png

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

Summary

../../_images/fig_times19433.png

(a) Computation time