mp-758038-2/La2Ti3O9/harm

Equation of state

../../_images/fig_bm1483.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3212.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4247.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3212.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23031.png

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

Summary

../../_images/fig_times5572.png

(a) Computation time