mp-643276/LiMg2H7Ru/harm

Equation of state

../../_images/fig_bm2673.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr5490.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7888.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5490.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25293.png

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

Summary

../../_images/fig_times9922.png

(a) Computation time