mp-770219/NbAsO4/harm

Harmonic properties

../../_images/fig_bandos_pr2704.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3283.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2704.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22525.png

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

Summary

../../_images/fig_times4507.png

(a) Computation time