mp-12287/La3NbO7/harm

Equation of state

../../_images/fig_bm7617.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr15594.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20003.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15593.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215189.png

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

Summary

../../_images/fig_times25758.png

(a) Computation time