mp-554831/Yb4Cl6O/harm

Harmonic properties

../../_images/fig_bandos_pr8780.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos12360.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8780.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28541.png

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

Summary

../../_images/fig_times15392.png

(a) Computation time