mp-9349/KRb2ScF6/harm

Harmonic properties

../../_images/fig_bandos_pr1448.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1348.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1448.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21300.png

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

Summary

../../_images/fig_times2164.png

(a) Computation time