mp-504650/La3CuSiS7/harm

Harmonic properties

../../_images/fig_bandos_pr9804.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos13692.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo9804.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc29560.png

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

Summary

../../_images/fig_times17045.png

(a) Computation time