mp-643573-2/Mg3MnH7/harm

Equation of state

../../_images/fig_bm2686.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5510.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7918.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5510.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25312.png

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

Summary

../../_images/fig_times9958.png

(a) Computation time