mp-706243/Al2Si3H8N2O10/harm

Harmonic properties

../../_images/fig_bandos_pr4447.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6238.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4447.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24260.png

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

Summary

../../_images/fig_times7927.png

(a) Computation time