mp-17677/Nb9PO25/harm

Harmonic properties

../../_images/fig_bandos_pr13973.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18354.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13973.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213601.png

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

Summary

../../_images/fig_times23400.png

(a) Computation time