mp-778147/Na5Bi2PC4O16/harm

Harmonic properties

../../_images/fig_bandos_pr2161.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2223.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2161.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21982.png

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

Summary

../../_images/fig_times3322.png

(a) Computation time