mp-25305/Y2Ti2S2O5/harm

Harmonic properties

../../_images/fig_bandos_pr12213.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16354.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12213.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211912.png

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

Summary

../../_images/fig_times20711.png

(a) Computation time