mp-707200-2/Na4P4H2O13/harm

Harmonic properties

../../_images/fig_bandos_pr4239.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5870.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4239.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24052.png

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

Summary

../../_images/fig_times7501.png

(a) Computation time