mp-768388/Lu2GeO5/harm

Harmonic properties

../../_images/fig_bandos_pr2843.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3529.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2843.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22664.png

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

Summary

../../_images/fig_times4790.png

(a) Computation time