mp-571066/K6Sn25/harm

Harmonic properties

../../_images/fig_bandos_pr6896.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9880.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6896.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26677.png

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

Summary

../../_images/fig_times12368.png

(a) Computation time