mp-8054-2/NaScGe2O6/harm

Equation of state

../../_images/fig_bm862.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr2027.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos2092.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo2027.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc21849.png

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

Summary

../../_images/fig_times3129.png

(a) Computation time