mp-1193553/BiBPbO4/harm

Harmonic properties

../../_images/fig_bandos_pr15832.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20230.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15831.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215427.png

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

Summary

../../_images/fig_times26086.png

(a) Computation time