mp-27300/RbAuBr3/harm

Harmonic properties

../../_images/fig_bandos_pr12325.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16536.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12325.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212024.png

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

Summary

../../_images/fig_times20916.png

(a) Computation time