mp-29499-2/Re3Te8Cl3/harm

Equation of state

../../_images/fig_bm5482.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11226.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15187.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11226.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210942.png

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

Summary

../../_images/fig_times19173.png

(a) Computation time