mp-754621/Sm2Ge2O7/harm

Harmonic properties

../../_images/fig_bandos_pr3560.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos4779.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3560.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc23378.png

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

Summary

../../_images/fig_times6207.png

(a) Computation time