mp-561268-2/As3Pb2ClO6/harm

Equation of state

../../_images/fig_bm3884.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7357.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10359.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7357.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27121.png

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

Summary

../../_images/fig_times13045.png

(a) Computation time