mp-558521/B2Se2O7/harm

Harmonic properties

../../_images/fig_bandos_pr8038.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11300.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8038.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27800.png

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

Summary

../../_images/fig_times14166.png

(a) Computation time