mp-28072-2/La2Be2O5/harm

Equation of state

../../_images/fig_bm5880.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr12031.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16092.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12031.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211734.png

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

Summary

../../_images/fig_times20390.png

(a) Computation time