mp-1105298/La2CuSbS5/harm

Harmonic properties

../../_images/fig_bandos_pr16211.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20665.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16210.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215804.png

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

Summary

../../_images/fig_times26689.png

(a) Computation time