mp-1192025/La3BeAlS7/harm

Harmonic properties

../../_images/fig_bandos_pr15766.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20128.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo15765.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215361.png

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

Summary

../../_images/fig_times25963.png

(a) Computation time