mp-554781/Tb3CuSnS7/harm

Equation of state

../../_images/fig_bm4585.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr9081.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12804.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9081.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28843.png

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

Summary

../../_images/fig_times15893.png

(a) Computation time