mp-14912/La4Si2Se3O7/harm

Harmonic properties

../../_images/fig_bandos_pr14550.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18906.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo14550.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc214169.png

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

Summary

../../_images/fig_times24213.png

(a) Computation time