mp-7193-2/Lu2Si2O7/harm

Harmonic properties

../../_images/fig_bandos_pr4474.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6312.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4474.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24287.png

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

Summary

../../_images/fig_times8002.png

(a) Computation time