mp-722401/ZnH16C6S2N4Cl2/harm

Harmonic properties

../../_images/fig_bandos_pr4164.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5682.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4164.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23977.png

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

Summary

../../_images/fig_times7303.png

(a) Computation time