mp-18596/Ca2ZnGe2O7/harm

Harmonic properties

../../_images/fig_bandos_pr13564.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos17926.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13564.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213192.png

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

Summary

../../_images/fig_times22808.png

(a) Computation time