mp-5999/Sm2Ti2S2O5/harm

Harmonic properties

../../_images/fig_bandos_pr9788.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo9788.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc29544.png

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

Summary

../../_images/fig_times17008.png

(a) Computation time