mp-571046/Sr5Ge2N6/harm

Harmonic properties

../../_images/fig_bandos_pr6890.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9873.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6890.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26671.png

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

Summary

../../_images/fig_times12361.png

(a) Computation time