mp-720570/Na2PH11O8/harm

Harmonic properties

../../_images/fig_bandos_pr4298.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6039.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4298.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24111.png

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

Summary

../../_images/fig_times7676.png

(a) Computation time