mp-24383/MgH4N2/harm

Harmonic properties

../../_images/fig_bandos_pr12402.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16667.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12402.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212101.png

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

Summary

../../_images/fig_times21065.png

(a) Computation time