mp-567713/Nb3TeI7/harm

Harmonic properties

../../_images/fig_bandos_pr7195.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10180.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7195.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26963.png

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

Summary

../../_images/fig_times12807.png

(a) Computation time