mp-35171/NbO2F/harm

Harmonic properties

../../_images/fig_bandos_pr10500.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14433.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10500.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210242.png

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

Summary

../../_images/fig_times18080.png

(a) Computation time