mp-409-2/NaS/harm

Equation of state

../../_images/fig_bm108.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr382.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos362.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo382.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2316.png

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

Summary

../../_images/fig_times605.png

(a) Computation time