mp-775918/LaTiNO2/harm

Harmonic properties

../../_images/fig_bandos_pr2244.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2465.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2244.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22065.png

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

Summary

../../_images/fig_times3578.png

(a) Computation time