mp-722834/Na6P2H2O9/harm

Equation of state

../../_images/fig_bm2073.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr4167.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5699.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4167.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23980.png

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

Summary

../../_images/fig_times7320.png

(a) Computation time