mp-1043476/MgBi2P2O10/harm

Harmonic properties

../../_images/fig_bandos_pr17245.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21741.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17244.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216786.png

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

Summary

../../_images/fig_times28218.png

(a) Computation time