mp-3551/TbAgTe2/harm

Harmonic properties

../../_images/fig_bandos_pr10946.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14855.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10946.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210671.png

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

Summary

../../_images/fig_times18711.png

(a) Computation time