mp-17125/CsNa3Li12Ge4O16/harm

Harmonic properties

../../_images/fig_bandos_pr14196.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18585.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14196.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213824.png

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

Summary

../../_images/fig_times23724.png

(a) Computation time