mp-11674/Al2Se3/harm

Harmonic properties

../../_images/fig_bandos_pr16831.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21146.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16830.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216386.png

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

Summary

../../_images/fig_times27462.png

(a) Computation time