mp-850908-2/Li2Mg11W12O48/harm

Equation of state

../../_images/fig_bm673.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1730.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1729.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1730.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21562.png

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

Summary

../../_images/fig_times2634.png

(a) Computation time