Gaussian cube spin channel 2 (SPIN2_CHG.cube)
Fe3Sn benchmark
Experimental Fe3Sn, Ni3Sn type (P6_3/mmc), a = 5.458 Ã…, c = 4.361 Ã…, Fe 6h x = 0.8445, Sn 2c. Ferromagnetic, Tc 743 K.
Created by route
Ground-state SCF