mp-17193/Ca3GeO/harm

Equation of state

../../_images/fig_bm7120.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14213.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18611.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14213.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213841.png

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

Summary

../../_images/fig_times23757.png

(a) Computation time