mp-1020670/SrB4O7/harm

Harmonic properties

../../_images/fig_bandos_pr125.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos153.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo125.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2124.png

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

Summary

../../_images/fig_times217.png

(a) Computation time