mp-542222/Tb2H16S3O20/harm

Harmonic properties

../../_images/fig_bandos_pr9302.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13040.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9302.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29064.png

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

Summary

../../_images/fig_times16211.png

(a) Computation time