mp-849476/Li17Ag12F29/harm

Harmonic properties

../../_images/fig_bandos_pr1700.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1670.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1700.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21533.png

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

Summary

../../_images/fig_times2573.png

(a) Computation time