mp-771830/Sr2YI7/harm

Harmonic properties

../../_images/fig_bandos_pr2502.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2997.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2502.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22323.png

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

Summary

../../_images/fig_times4153.png

(a) Computation time