mp-6181-2/NaNbCu2S4/harm

Equation of state

../../_images/fig_bm3328.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr6300.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos9160.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo6300.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc26090.png

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

Summary

../../_images/fig_times11416.png

(a) Computation time