mp-559010/Sb2OsC4O4F12/harm

Harmonic properties

../../_images/fig_bandos_pr7836.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10997.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7836.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27599.png

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

Summary

../../_images/fig_times13816.png

(a) Computation time