mp-6663-2/NaLiGe4O9/harm

Equation of state

../../_images/fig_bm3221.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6114.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos8978.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6114.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25905.png

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

Summary

../../_images/fig_times11165.png

(a) Computation time