mp-1110830/K2NaPrF6/harm

Harmonic properties

../../_images/fig_bandos_pr16306.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20743.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16305.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215899.png

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

Summary

../../_images/fig_times26806.png

(a) Computation time