mp-1190339/Na3Ca3AlSb4/harm

Harmonic properties

../../_images/fig_bandos_pr15976.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_thermo15975.png

(b) Thermodynamic properties

Force constants

../../_images/fig_fc215571.png

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

Summary

../../_images/fig_times26303.png

(a) Computation time