mp-643759/GaH3NF3/harm

Harmonic properties

../../_images/fig_bandos_pr5532.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7926.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5532.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25334.png

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

Summary

../../_images/fig_times9982.png

(a) Computation time