mp-1103709/Rb2CdI2Br2/harm

Harmonic properties

../../_images/fig_bandos_pr16590.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo16589.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc216164.png

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

Summary

../../_images/fig_times27138.png

(a) Computation time