mp-730074/Rb2CaH8N12O4/harm

Harmonic properties

../../_images/fig_bandos_pr4037.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5387.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4037.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23850.png

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

Summary

../../_images/fig_times6998.png

(a) Computation time