mp-30205/Cr2Bi6O15/harm

Harmonic properties

../../_images/fig_bandos_pr11090.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15029.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11090.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210812.png

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

Summary

../../_images/fig_times18949.png

(a) Computation time