mp-759198/Li2AgF3/harm

Equation of state

../../_images/fig_bm1328.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3037.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3899.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3037.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22857.png

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

Summary

../../_images/fig_times5201.png

(a) Computation time