mp-559608/K3NdSi7O17/harm

Harmonic properties

../../_images/fig_bandos_pr7954.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos11184.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo7954.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc27716.png

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

Summary

../../_images/fig_times14027.png

(a) Computation time