mp-6119-2/Na2Nd2Ti3O10/harm

Equation of state

../../_images/fig_bm3547.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6644.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9537.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6644.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26434.png

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

Summary

../../_images/fig_times11909.png

(a) Computation time