mp-23141/Sr5P3BrO12/harm

Harmonic properties

../../_images/fig_bandos_pr12911.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17299.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12911.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212607.png

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

Summary

../../_images/fig_times21850.png

(a) Computation time