mp-1111082/Na2AlCuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16332.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20765.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16331.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215922.png

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

Summary

../../_images/fig_times26832.png

(a) Computation time