mp-560226/NaNdSi6O14/harm

Harmonic properties

../../_images/fig_bandos_pr7782.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos10927.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7782.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27545.png

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

Summary

../../_images/fig_times13734.png

(a) Computation time