mp-11183-2/PrB3O6/harm

Harmonic properties

../../_images/fig_bandos_pr16791.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo16790.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc216349.png

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

Summary

../../_images/fig_times27413.png

(a) Computation time