mp-686585/K6Al11Si13Ag5O48/harm

Harmonic properties

../../_images/fig_bandos_pr5032.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7076.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5032.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24837.png

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

Summary

../../_images/fig_times8969.png

(a) Computation time