mp-570106/YbAl2Cl8/harm

Harmonic properties

../../_images/fig_bandos_pr7099.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10076.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7099.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26873.png

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

Summary

../../_images/fig_times12661.png

(a) Computation time