mp-18677/PrSc3B4O12/harm

Harmonic properties

../../_images/fig_bandos_pr13585.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17944.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13585.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213213.png

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

Summary

../../_images/fig_times22836.png

(a) Computation time