mp-20056/MgPb2WO6/harm

Equation of state

../../_images/fig_bm6707.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13425.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17795.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13425.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213062.png

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

Summary

../../_images/fig_times22610.png

(a) Computation time