mp-1207607/YScSi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr15493.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19857.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15492.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215088.png

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

Summary

../../_images/fig_times25587.png

(a) Computation time