Heisenberg exchange pair couplings (6896 pairs) from TB2J
Created by route
Exchange couplings (TB2J)
Mn16Ge3Bi13 (Amm2) - DFT relaxed
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Ã… threshold; final energy = -83643.3639 eV; energy change = -1.8042 eV; not fully force/stress converged