mp-1084770-2/K2BiAu/harm

Harmonic properties

../../_images/fig_bandos_pr17002.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21314.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo17001.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216554.png

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

Summary

../../_images/fig_times27706.png

(a) Computation time