mp-774929-2/Na5Bi2PC4O16/harm

Equation of state

../../_images/fig_bm1199.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2434.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2867.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2434.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22255.png

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

Summary

../../_images/fig_times4005.png

(a) Computation time