mp-16435/Ba3Sc4Cu3O12/harm

Harmonic properties

../../_images/fig_bandos_pr14435.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18793.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14435.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214055.png

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

Summary

../../_images/fig_times24044.png

(a) Computation time