mp-686735/NaCaAlSi2O7/harm

Harmonic properties

../../_images/fig_bandos_pr5034.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos7092.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo5034.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc24839.png

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

Summary

../../_images/fig_times8985.png

(a) Computation time