mp-677179-2/BaNaIn2P3O12/harm

Harmonic properties

../../_images/fig_bandos_pr5104.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7224.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5104.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24909.png

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

Summary

../../_images/fig_times9128.png

(a) Computation time