mp-561536/NaMgBO3/harm

Harmonic properties

../../_images/fig_bandos_pr7416.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10450.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7416.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27180.png

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

Summary

../../_images/fig_times13144.png

(a) Computation time