mp-24369/Na2SiH12O9/harm

Equation of state

../../_images/fig_bm6140.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12398.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16661.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12398.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212097.png

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

Summary

../../_images/fig_times21059.png

(a) Computation time