mp-24645-2/ErH3O3/harm

Equation of state

../../_images/fig_bm6184.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12462.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16767.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12462.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212161.png

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

Summary

../../_images/fig_times21178.png

(a) Computation time