mp-776437-2/LaTa2NO5/harm

Equation of state

../../_images/fig_bm1092.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2285.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2579.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2285.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22106.png

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

Summary

../../_images/fig_times3705.png

(a) Computation time