mp-863076/NbBiO4/harm

Harmonic properties

../../_images/fig_bandos_pr1507.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1411.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1507.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21356.png

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

Summary

../../_images/fig_times2252.png

(a) Computation time