mp-21309/MgTePb2O6/harm

Harmonic properties

../../_images/fig_bandos_pr13323.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17680.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13323.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212963.png

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

Summary

../../_images/fig_times22453.png

(a) Computation time