mp-17685-2/Li3GaGeO5/harm

Equation of state

../../_images/fig_bm6995.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13977.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18357.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13977.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213605.png

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

Summary

../../_images/fig_times23404.png

(a) Computation time