mp-1193554/Bi2Se3O10/harm

Harmonic properties

../../_images/fig_bandos_pr15833.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20231.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15832.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215428.png

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

Summary

../../_images/fig_times26087.png

(a) Computation time