mp-849730-2/Na2Ti4O9/harm

Equation of state

../../_images/fig_bm654.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr1702.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos1678.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo1702.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21535.png

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

Summary

../../_images/fig_times2581.png

(a) Computation time