mp-625857-2/ZnH2O2/harm

Equation of state

../../_images/fig_bm3088.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5952.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8715.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5952.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25748.png

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

Summary

../../_images/fig_times10855.png

(a) Computation time