mp-1020142/Na2B4O7/harm

Harmonic properties

../../_images/fig_bandos_pr86.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos100.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo86.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc285.png

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

Summary

../../_images/fig_times149.png

(a) Computation time