mp-698406/MoH12N3O5F3/harm

Harmonic properties

../../_images/fig_bandos_pr4733.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6582.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4733.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24544.png

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

Summary

../../_images/fig_times8397.png

(a) Computation time