mp-625857/ZnH2O2/harm

Harmonic properties

../../_images/fig_bandos_pr5951.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8714.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5951.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25747.png

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

Summary

../../_images/fig_times10854.png

(a) Computation time