mp-23160-2/ThBr4/harm

Equation of state

../../_images/fig_bm6456.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12924.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17313.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12924.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212619.png

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

Summary

../../_images/fig_times21869.png

(a) Computation time