mp-1112245/K2ScCuF6/harm

Harmonic properties

../../_images/fig_bandos_pr16392.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20821.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16391.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215979.png

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

Summary

../../_images/fig_times26893.png

(a) Computation time