mp-510011/La3CuGeSe7/harm

Harmonic properties

../../_images/fig_bandos_pr9593.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13410.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9593.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29354.png

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

Summary

../../_images/fig_times16686.png

(a) Computation time