mp-1079615/Ba2UCdO6/harm

Harmonic properties

../../_images/fig_bandos_pr16942.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21252.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16941.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216494.png

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

Summary

../../_images/fig_times27620.png

(a) Computation time