mp-16837/Nb3AgO8/harm

Harmonic properties

../../_images/fig_bandos_pr14105.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18499.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14105.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213733.png

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

Summary

../../_images/fig_times23596.png

(a) Computation time