mp-6765/Li3AlGeO5/harm

Equation of state

../../_images/fig_bm3247.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6153.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9024.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6153.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25944.png

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

Summary

../../_images/fig_times11224.png

(a) Computation time