mp-557748/SbIrC2O2F6/harm

Harmonic properties

../../_images/fig_bandos_pr8173.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11497.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8173.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27935.png

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

Summary

../../_images/fig_times14388.png

(a) Computation time