mp-5038/CsGaS2/harm

Harmonic properties

../../_images/fig_bandos_pr10235.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14172.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10235.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29986.png

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

Summary

../../_images/fig_times17700.png

(a) Computation time