mp-28478/NaTe3/harm

Harmonic properties

../../_images/fig_bandos_pr11495.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15503.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11495.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211210.png

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

Summary

../../_images/fig_times19596.png

(a) Computation time