mp-28541/Bi2P4O13/harm

Harmonic properties

../../_images/fig_bandos_pr11522.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15534.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11522.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211237.png

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

Summary

../../_images/fig_times19636.png

(a) Computation time