mp-690650/ZnH4Cl2O6/harm

Harmonic properties

../../_images/fig_bandos_pr5043.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo5043.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc24848.png

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

Summary

../../_images/fig_times9009.png

(a) Computation time