mp-6289/Ba2TiGe2O8/harm

Harmonic properties

../../_images/fig_bandos_pr6360.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9209.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6360.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26150.png

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

Summary

../../_images/fig_times11485.png

(a) Computation time