mp-561441/Y2GeO5/harm

Harmonic properties

../../_images/fig_bandos_pr7393.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10411.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7393.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27157.png

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

Summary

../../_images/fig_times13102.png

(a) Computation time