mp-11582-2/LiGaSe2/harm

Harmonic properties

../../_images/fig_bandos_pr16806.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos21125.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16805.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc216361.png

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

Summary

../../_images/fig_times27428.png

(a) Computation time