mp-556820/Sm3Si2Cl5O6/harm

Harmonic properties

../../_images/fig_bandos_pr8303.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11680.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8303.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28065.png

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

Summary

../../_images/fig_times14594.png

(a) Computation time