mp-643061-2/Mg3ReH7/harm

Equation of state

../../_images/fig_bm2664.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5468.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7869.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5468.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25273.png

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

Summary

../../_images/fig_times9893.png

(a) Computation time