mp-684680/Yb2S3/harm

Harmonic properties

../../_images/fig_bandos_pr4987.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6992.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4987.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24792.png

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

Summary

../../_images/fig_times8870.png

(a) Computation time