mp-1220903/NaTi2BiO6/harm

Harmonic properties

../../_images/fig_bandos_pr15300.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19685.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15299.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214907.png

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

Summary

../../_images/fig_times25319.png

(a) Computation time