mp-17066/Y2TeO6/harm

Harmonic properties

../../_images/fig_bandos_pr14179.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo14179.png

(b) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all6023.png

(a) Grüneisen parameters

../../_images/fig_gruneisen6023.png

(b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc213807.png

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

Summary

../../_images/fig_times23700.png

(a) Computation time