Gaussian cube spin channel 2 (SPIN2_CHG.cube)
FeNi benchmark
Experimental L1_0 FeNi, tetrataenite (P4/mmm), a = 2.533 Ã…, c = 3.607 Ã…. Ferromagnetic; chemical order is lost near 593 K, below the Curie point.
Created by route
Ground-state SCF