mp-776697-2/Na5Bi2AsC4O16/harm

Equation of state

../../_images/fig_bm1111.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2305.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2623.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2305.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22126.png

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

Summary

../../_images/fig_times3752.png

(a) Computation time