mp-22216/In2S3/harm

Harmonic properties

../../_images/fig_bandos_pr13034.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17414.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13034.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212714.png

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

Summary

../../_images/fig_times22025.png

(a) Computation time