mp-23376/GaSeBr7/harm

Harmonic properties

../../_images/fig_bandos_pr12648.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17022.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12648.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212345.png

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

Summary

../../_images/fig_times21483.png

(a) Computation time