mp-23939-2/H2O2/harm

Harmonic properties

../../_images/fig_bandos_pr12563.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16907.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12563.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212261.png

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

Summary

../../_images/fig_times21353.png

(a) Computation time