mp-637206/AlBiSeCl4/harm

Harmonic properties

../../_images/fig_bandos_pr5678.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8172.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5678.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25477.png

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

Summary

../../_images/fig_times10270.png

(a) Computation time