mp-698454/DyH9C5N2O8/harm

Harmonic properties

../../_images/fig_bandos_pr4736.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6587.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4736.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24547.png

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

Summary

../../_images/fig_times8402.png

(a) Computation time