mp-558323/SrBi2B2O7/harm

Harmonic properties

../../_images/fig_bandos_pr7996.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11246.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7996.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27758.png

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

Summary

../../_images/fig_times14102.png

(a) Computation time