mp-5652/Y2Si2O7/harm

Harmonic properties

../../_images/fig_bandos_pr10029.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13961.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo10029.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29782.png

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

Summary

../../_images/fig_times17406.png

(a) Computation time