mp-29689/Nb3TeI7/harm

Harmonic properties

../../_images/fig_bandos_pr11279.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15250.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11279.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210995.png

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

Summary

../../_images/fig_times19257.png

(a) Computation time