mp-1111279/Na2CuBiF6/harm

Harmonic properties

../../_images/fig_bandos_pr16345.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20778.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16344.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215935.png

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

Summary

../../_images/fig_times26845.png

(a) Computation time