mp-698397/SnH24C6N2O2F6/harm

Harmonic properties

../../_images/fig_bandos_pr4732.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6581.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4732.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24543.png

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

Summary

../../_images/fig_times8396.png

(a) Computation time