mp-4533-2/Na2SiO3/harm

Space group: Cmc2_1 (36)
Link: Materials Project
Download: mp-4533-2.tar.gz

Equation of state

../../_images/fig_bm5234.png — (a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr10436.png — (a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos14374.png — (b) Phonon dispersion and DOS

../../_images/fig_thermo10436.png — (c) Thermodynamic properties

Grüneisen parameters

../../_images/fig_gru_all4229.png — (a) Grüneisen parameters

../../_images/fig_gruneisen4229.png — (b) Phonon dispersion with Grüneisen parameters

Force constants

../../_images/fig_fc210179.png — (a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times17990.png — (a) Computation time