mp-560721/NaCaBeSi2O6F/harm

Harmonic properties

../../_images/fig_bandos_pr7555.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10624.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7555.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27319.png

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

Summary

../../_images/fig_times13372.png

(a) Computation time