mp-27167/Sn2IF3/harm

Harmonic properties

../../_images/fig_bandos_pr12265.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16445.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12265.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211964.png

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

Summary

../../_images/fig_times20807.png

(a) Computation time