mp-1191974-2/CaGeP2O8/harm

Harmonic properties

../../_images/fig_bandos_pr15762.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20123.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15761.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215357.png

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

Summary

../../_images/fig_times25957.png

(a) Computation time