mp-772750/Li3MgPCO7/harm

Harmonic properties

../../_images/fig_bandos_pr2582.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3117.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2582.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22403.png

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

Summary

../../_images/fig_times4293.png

(a) Computation time