mp-774708/ZnH12C3S4N6O4/harm

Harmonic properties

../../_images/fig_bandos_pr2421.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2832.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2421.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22242.png

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

Summary

../../_images/fig_times3969.png

(a) Computation time