mp-28072/La2Be2O5/harm

Harmonic properties

../../_images/fig_bandos_pr12030.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos16091.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo12030.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc211733.png

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

Summary

../../_images/fig_times20389.png

(a) Computation time