mp-560665-2/LaPb6BrO7/harm

Equation of state

../../_images/fig_bm3948.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7547.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10611.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7547.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27311.png

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

Summary

../../_images/fig_times13358.png

(a) Computation time