mp-675944-2/ErH9C5N2O8/harm

Equation of state

../../_images/fig_bm2578.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5278.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7534.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5278.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25083.png

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

Summary

../../_images/fig_times9496.png

(a) Computation time