mp-728290-2/VH12N3O5F2/harm

Harmonic properties

../../_images/fig_bandos_pr4220.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5827.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4220.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24033.png

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

Summary

../../_images/fig_times7458.png

(a) Computation time