mp-703316/LaMg2H7/harm

Equation of state

../../_images/fig_bm2214.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4421.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6172.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4421.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24234.png

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

Summary

../../_images/fig_times7859.png

(a) Computation time