mp-776274-2/Na5Bi2AsC4O16/harm

Equation of state

../../_images/fig_bm1076.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2274.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2546.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2274.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22095.png

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

Summary

../../_images/fig_times3670.png

(a) Computation time