mp-698063-2/Na2P2H2O7/harm

Harmonic properties

../../_images/fig_bandos_pr4706.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6543.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4706.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24517.png

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

Summary

../../_images/fig_times8352.png

(a) Computation time