mp-20056-2/MgPb2WO6/harm

Harmonic properties

../../_images/fig_bandos_pr13426.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17796.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13426.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213063.png

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

Summary

../../_images/fig_times22611.png

(a) Computation time