mp-675944/ErH9C5N2O8/harm

Harmonic properties

../../_images/fig_bandos_pr5277.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7533.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5277.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25082.png

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

Summary

../../_images/fig_times9495.png

(a) Computation time