mp-1110658/Rb2YCuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16298.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20735.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16297.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215891.png

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

Summary

../../_images/fig_times26798.png

(a) Computation time