mp-28796/Sr5Au2O8/harm

Harmonic properties

../../_images/fig_bandos_pr11635.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15642.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11635.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211347.png

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

Summary

../../_images/fig_times19797.png

(a) Computation time