mp-734025-2/Na2SeO5/harm

Harmonic properties

../../_images/fig_bandos_pr4084.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos5495.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4084.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23897.png

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

Summary

../../_images/fig_times7110.png

(a) Computation time