mp-17916-2/Y3CuGeSe7/harm

Equation of state

../../_images/fig_bm7047.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr14075.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18454.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14075.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213703.png

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

Summary

../../_images/fig_times23539.png

(a) Computation time