mp-561315/Cs3AlGe2O7/harm

Harmonic properties

../../_images/fig_bandos_pr7373.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10377.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7373.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27137.png

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

Summary

../../_images/fig_times13065.png

(a) Computation time