mp-758632/NaH2C2N3O/harm

Equation of state

../../_images/fig_bm1292.png

(a) Equation of state

Harmonic properties

../../_images/fig_bandos_pr3002.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos3820.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo3002.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc22822.png

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

Summary

../../_images/fig_times5120.png

(a) Computation time