mp-759288-2/GaH5N2F2/harm

Harmonic properties

../../_images/fig_bandos_pr3047.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3919.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3047.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22867.png

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

Summary

../../_images/fig_times5221.png

(a) Computation time