mp-23852-2/Na3H5C2O8/harm

Equation of state

../../_images/fig_bm6226.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12523.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16854.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12523.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212222.png

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

Summary

../../_images/fig_times21288.png

(a) Computation time