mp-1102536-2/AlCuBr4/harm

Harmonic properties

../../_images/fig_bandos_pr16547.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20931.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16546.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216122.png

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

Summary

../../_images/fig_times27082.png

(a) Computation time