mp-30200/Bi2CO5/harm

Harmonic properties

../../_images/fig_bandos_pr11089.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos15028.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo11089.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc210811.png

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

Summary

../../_images/fig_times18948.png

(a) Computation time