mp-774708-2/ZnH12C3S4N6O4/harm

Equation of state

../../_images/fig_bm1187.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2422.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2833.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2422.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22243.png

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

Summary

../../_images/fig_times3970.png

(a) Computation time