mp-697027-2/NaSi2H3O6/harm

Harmonic properties

../../_images/fig_bandos_pr4946.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos6906.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo4946.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24755.png

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

Summary

../../_images/fig_times8774.png

(a) Computation time