mp-752767-2/LiAgF2/harm

Equation of state

../../_images/fig_bm1936.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3951.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5254.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3951.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23764.png

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

Summary

../../_images/fig_times6843.png

(a) Computation time