mp-6803-2/Sr3Pr2B4O12/harm

Harmonic properties

../../_images/fig_bandos_pr6174.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9048.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6174.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25965.png

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

Summary

../../_images/fig_times11252.png

(a) Computation time