mp-554259-2/SrAgB7O12/harm

Equation of state

../../_images/fig_bm4517.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr8953.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12630.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8953.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28714.png

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

Summary

../../_images/fig_times15693.png

(a) Computation time