mp-777773/LaTa2NO5/harm

Harmonic properties

../../_images/fig_bandos_pr2143.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2189.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2143.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21964.png

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

Summary

../../_images/fig_times3286.png

(a) Computation time