mp-17677-2/Nb9PO25/harm

Equation of state

../../_images/fig_bm6994.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13974.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18355.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13974.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213602.png

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

Summary

../../_images/fig_times23401.png

(a) Computation time