mp-766250/Er2H16S3O20/harm

Harmonic properties

../../_images/fig_bandos_pr2748.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3374.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2748.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22569.png

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

Summary

../../_images/fig_times4607.png

(a) Computation time