mp-29362/GaCuCl4/harm

Harmonic properties

../../_images/fig_bandos_pr11159.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15122.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11159.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210876.png

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

Summary

../../_images/fig_times19075.png

(a) Computation time