mp-775911-2/La2Nb2N2O5/harm

Equation of state

../../_images/fig_bm1040.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2243.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2462.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2243.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22064.png

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

Summary

../../_images/fig_times3575.png

(a) Computation time