mp-667498/Ba8CaY2U4O24/harm

Harmonic properties

../../_images/fig_bandos_pr5369.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7718.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5369.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25174.png

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

Summary

../../_images/fig_times9703.png

(a) Computation time