mp-24303/Mg3P4H48N2O30/harm

Harmonic properties

../../_images/fig_bandos_pr12385.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16630.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12385.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212084.png

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

Summary

../../_images/fig_times21026.png

(a) Computation time