mp-16590-2/Tb4Si2S3O7/harm

Harmonic properties

../../_images/fig_bandos_pr14448.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18803.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14448.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214068.png

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

Summary

../../_images/fig_times24061.png

(a) Computation time