mp-570753-2/Tl3PbBr5/harm

Equation of state

../../_images/fig_bm3671.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6856.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9834.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6856.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26639.png

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

Summary

../../_images/fig_times12304.png

(a) Computation time