mp-17392/Sr2ZnGe2O7/harm

Harmonic properties

../../_images/fig_bandos_pr14268.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18666.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14268.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213896.png

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

Summary

../../_images/fig_times23834.png

(a) Computation time