mp-555561/BaUSi2O8/harm

Harmonic properties

../../_images/fig_bandos_pr8635.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12133.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8635.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28396.png

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

Summary

../../_images/fig_times15138.png

(a) Computation time