mp-16590/Tb4Si2S3O7/harm

Equation of state

../../_images/fig_bm7217.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14447.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18802.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14447.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214067.png

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

Summary

../../_images/fig_times24060.png

(a) Computation time