mp-29201-2/TbCd2F8/harm

Equation of state

../../_images/fig_bm5584.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr11440.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15433.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11440.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211156.png

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

Summary

../../_images/fig_times19502.png

(a) Computation time