mp-570921/CsLuNb6Cl18/harm

Harmonic properties

../../_images/fig_bandos_pr6873.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9852.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6873.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26655.png

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

Summary

../../_images/fig_times12332.png

(a) Computation time