mp-555474/SrCl2O4/harm

Harmonic properties

../../_images/fig_bandos_pr8619.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo8619.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc28380.png

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

Summary

../../_images/fig_times15116.png

(a) Computation time