mp-654139/Nd2Ti4O11/harm

Harmonic properties

../../_images/fig_bandos_pr5338.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7671.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5338.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc25143.png

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

Summary

../../_images/fig_times9649.png

(a) Computation time