mp-774929/Na5Bi2PC4O16/harm

Harmonic properties

../../_images/fig_bandos_pr2433.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2866.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2433.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22254.png

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

Summary

../../_images/fig_times4004.png

(a) Computation time