mp-1020141/Na2Al2Si3O10/harm

Harmonic properties

../../_images/fig_bandos_pr85.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos99.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo85.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc284.png

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

Summary

../../_images/fig_times148.png

(a) Computation time