mp-21405/InSe/harm

Harmonic properties

../../_images/fig_bandos_pr13328.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17687.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13328.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212968.png

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

Summary

../../_images/fig_times22461.png

(a) Computation time