mp-555097-2/Tb3Si2Cl5O6/harm

Harmonic properties

../../_images/fig_bandos_pr8843.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12457.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8843.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28604.png

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

Summary

../../_images/fig_times15505.png

(a) Computation time