mp-24369-2/Na2SiH12O9/harm

Harmonic properties

../../_images/fig_bandos_pr12399.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16662.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12399.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212098.png

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

Summary

../../_images/fig_times21060.png

(a) Computation time