mp-16577/Li2CaHfF8/harm

Harmonic properties

../../_images/fig_bandos_pr14444.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18797.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14444.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214064.png

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

Summary

../../_images/fig_times24055.png

(a) Computation time