mp-1190900-2/BaZn2Si2O7/harm

Harmonic properties

../../_images/fig_bandos_pr16028.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos20444.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo16027.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc215623.png

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

Summary

../../_images/fig_times26383.png

(a) Computation time