mp-556806/BaNa2Si2O6/harm

Harmonic properties

../../_images/fig_bandos_pr8299.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11676.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8299.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28061.png

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

Summary

../../_images/fig_times14589.png

(a) Computation time