mp-409/NaS/harm

Harmonic properties

../../_images/fig_bandos_pr381.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos361.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo381.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc2315.png

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

Summary

../../_images/fig_times604.png

(a) Computation time