mp-643061/Mg3ReH7/harm

Harmonic properties

../../_images/fig_bandos_pr5467.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7868.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5467.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25272.png

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

Summary

../../_images/fig_times9892.png

(a) Computation time