mp-759602/Sb4O5F2/harm

Harmonic properties

../../_images/fig_bandos_pr3067.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3967.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3067.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22887.png

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

Summary

../../_images/fig_times5273.png

(a) Computation time