mp-776407/LaTa2NO5/harm

Harmonic properties

../../_images/fig_bandos_pr2281.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2571.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2281.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22102.png

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

Summary

../../_images/fig_times3696.png

(a) Computation time