mp-766262/H20C3N4O10/harm

Harmonic properties

../../_images/fig_bandos_pr2750.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3377.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2750.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22571.png

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

Summary

../../_images/fig_times4610.png

(a) Computation time