mp-859110/Ta7BiO19/harm

Harmonic properties

../../_images/fig_bandos_pr1735.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1741.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1735.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21567.png

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

Summary

../../_images/fig_times2647.png

(a) Computation time