mp-20495/Na2CO3/harm

Harmonic properties

../../_images/fig_bandos_pr13481.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17837.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13481.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213116.png

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

Summary

../../_images/fig_times22683.png

(a) Computation time