mp-1191180/La3BeBiS7/harm

Harmonic properties

../../_images/fig_bandos_pr16059.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20475.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16058.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215654.png

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

Summary

../../_images/fig_times26419.png

(a) Computation time