mp-23372-2/Sn2Bi2O7/harm

Equation of state

../../_images/fig_bm6304.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12646.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17021.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12646.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212343.png

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

Summary

../../_images/fig_times21481.png

(a) Computation time