mp-559427/BaSr4U3O14/harm

Harmonic properties

../../_images/fig_bandos_pr7925.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11132.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7925.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27687.png

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

Summary

../../_images/fig_times13969.png

(a) Computation time