mp-558310/BaLi2SiO4/harm

Harmonic properties

../../_images/fig_bandos_pr7993.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11241.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7993.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27755.png

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

Summary

../../_images/fig_times14096.png

(a) Computation time