Gaussian cube spin channel 2 (SPIN2_CHG.cube)
Created by route
Ground-state SCF
Fe16N2 benchmark
Experimental alpha''-Fe16N2 (I4/mmm), a = 5.72 Ã…, c = 6.29 Ã…, Fe 4e z = 0.293, Fe 8h x = 0.243, Fe 4d, N 2a. Ferromagnetic, Tc about 810 K.