mp-684694/Yb2Se3/harm

Harmonic properties

../../_images/fig_bandos_pr4990.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6993.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4990.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24795.png

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

Summary

../../_images/fig_times8873.png

(a) Computation time