mp-559154/Ti4Bi2O11/harm

Harmonic properties

../../_images/fig_bandos_pr7870.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11045.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7870.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27633.png

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

Summary

../../_images/fig_times13868.png

(a) Computation time