mp-758632-2/NaH2C2N3O/harm

Harmonic properties

../../_images/fig_bandos_pr3003.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3821.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3003.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22823.png

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

Summary

../../_images/fig_times5121.png

(a) Computation time