mp-29379/K3BiTe3/harm

Harmonic properties

../../_images/fig_bandos_pr11171.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15138.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11171.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210888.png

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

Summary

../../_images/fig_times19094.png

(a) Computation time