mp-768143/NaGePCO7/harm

Harmonic properties

../../_images/fig_bandos_pr2796.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3471.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2796.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22617.png

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

Summary

../../_images/fig_times4715.png

(a) Computation time