mp-698274/ZnH8C4O8/harm

Equation of state

../../_images/fig_bm2352.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4719.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6560.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4719.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24530.png

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

Summary

../../_images/fig_times8375.png

(a) Computation time