mp-1224894/GaH6N2F3/harm

Harmonic properties

../../_images/fig_bandos_pr15068.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19427.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15067.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214684.png

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

Summary

../../_images/fig_times24935.png

(a) Computation time