mp-570738/GaI2/harm

Harmonic properties

../../_images/fig_bandos_pr6853.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9831.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6853.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26637.png

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

Summary

../../_images/fig_times12300.png

(a) Computation time