mp-1111944/K2InAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16380.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20813.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16379.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215970.png

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

Summary

../../_images/fig_times26881.png

(a) Computation time