mp-27322/Nb2Te3O11/harm

Harmonic properties

../../_images/fig_bandos_pr12036.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16102.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12036.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211738.png

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

Summary

../../_images/fig_times20402.png

(a) Computation time