mp-697087/SbH2N3F6/harm

Harmonic properties

../../_images/fig_bandos_pr4954.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6911.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4954.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24761.png

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

Summary

../../_images/fig_times8784.png

(a) Computation time