mp-2488-2/SiOs/harm

Equation of state

../../_images/fig_bm6608.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr13214.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17607.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13214.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc212868.png

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

Summary

../../_images/fig_times22306.png

(a) Computation time