mp-699317/Na2H6C4O7/harm

Harmonic properties

../../_images/fig_bandos_pr4759.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6619.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4759.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24570.png

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

Summary

../../_images/fig_times8435.png

(a) Computation time