mp-556283/Na2TiSi4O11/harm

Harmonic properties

../../_images/fig_bandos_pr8493.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11932.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8493.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc28255.png

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

Summary

../../_images/fig_times14903.png

(a) Computation time