mp-553988/Cs2LiF3/harm

Harmonic properties

../../_images/fig_bandos_pr9230.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12946.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9230.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28992.png

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

Summary

../../_images/fig_times16096.png

(a) Computation time