mp-7117-2/LiAlSe2/harm

Harmonic properties

../../_images/fig_bandos_pr4803.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6672.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4803.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24614.png

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

Summary

../../_images/fig_times8509.png

(a) Computation time