mp-560193/SnSe2Cl8O2/harm

Harmonic properties

../../_images/fig_bandos_pr7778.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10917.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7778.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27541.png

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

Summary

../../_images/fig_times13724.png

(a) Computation time