mp-696851/ZnH12C2S2N6O8/harm

Harmonic properties

../../_images/fig_bandos_pr4928.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6881.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4928.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24737.png

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

Summary

../../_images/fig_times8746.png

(a) Computation time