mp-22984-2/NaBiO2/harm

Equation of state

../../_images/fig_bm6585.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13170.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17566.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13170.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212828.png

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

Summary

../../_images/fig_times22244.png

(a) Computation time