mp-567948/Rb2PdI2Br4/harm

Equation of state

../../_images/fig_bm3830.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7228.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10215.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7228.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26995.png

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

Summary

../../_images/fig_times12851.png

(a) Computation time