mp-560386-2/In2Ag2GeS6/harm

Equation of state

../../_images/fig_bm3929.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr7482.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10534.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7482.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27246.png

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

Summary

../../_images/fig_times13254.png

(a) Computation time