mp-5222/ReTeS/harm

Harmonic properties

../../_images/fig_bandos_pr9920.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo9920.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc29674.png

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

Summary

../../_images/fig_times17236.png

(a) Computation time