mp-1111084/Na2ScAuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16333.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20766.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16332.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215923.png

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

Summary

../../_images/fig_times26833.png

(a) Computation time