mp-1191215/La3InFeS7/harm

Harmonic properties

../../_images/fig_bandos_pr16063.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20478.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16062.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215658.png

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

Summary

../../_images/fig_times26424.png

(a) Computation time