mp-1188115/Cs3ZnBr5/harm

Harmonic properties

../../_images/fig_bandos_pr16175.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20642.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16174.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215768.png

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

Summary

../../_images/fig_times26643.png

(a) Computation time