mp-24456-2/SrH2N2O5/harm

Harmonic properties

../../_images/fig_bandos_pr12421.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16698.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12421.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212120.png

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

Summary

../../_images/fig_times21104.png

(a) Computation time