mp-23998/ZnH12N4Cl2O8/harm

Harmonic properties

../../_images/fig_bandos_pr12595.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16946.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12595.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212293.png

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

Summary

../../_images/fig_times21397.png

(a) Computation time