mp-1202866/Na4Ti4Si3O22/harm

Harmonic properties

../../_images/fig_bandos_pr15384.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos19758.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15383.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214987.png

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

Summary

../../_images/fig_times25442.png

(a) Computation time