mp-14017-2/K3Sb/harm

Harmonic properties

../../_images/fig_bandos_pr14664.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19051.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14664.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214283.png

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

Summary

../../_images/fig_times24396.png

(a) Computation time