mp-28713/Na2Te2O5/harm

Harmonic properties

../../_images/fig_bandos_pr11601.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15605.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11601.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211313.png

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

Summary

../../_images/fig_times19747.png

(a) Computation time