mp-1111960/K2SbAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16385.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20817.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16384.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215974.png

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

Summary

../../_images/fig_times26886.png

(a) Computation time