mp-29252/Sn2ClF3/harm

Harmonic properties

../../_images/fig_bandos_pr11465.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15455.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11465.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211181.png

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

Summary

../../_images/fig_times19537.png

(a) Computation time