mp-1199011/Nb4Ag2O11/harm

Harmonic properties

../../_images/fig_bandos_pr15535.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19929.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15534.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215130.png

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

Summary

../../_images/fig_times25674.png

(a) Computation time