mp-23160/ThBr4/harm

Harmonic properties

../../_images/fig_bandos_pr12923.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17312.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12923.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212618.png

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

Summary

../../_images/fig_times21868.png

(a) Computation time