mp-13274-2/Na4CO4/harm

Harmonic properties

../../_images/fig_bandos_pr14855.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19236.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14855.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214473.png

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

Summary

../../_images/fig_times24656.png

(a) Computation time