mp-557696/Na5Y4Si4O16F/harm

Harmonic properties

../../_images/fig_bandos_pr8160.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11477.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo8160.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27922.png

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

Summary

../../_images/fig_times14366.png

(a) Computation time