mp-758054/LiAgF4/harm

Harmonic properties

../../_images/fig_bandos_pr3213.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4248.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3213.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23032.png

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

Summary

../../_images/fig_times5573.png

(a) Computation time