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Sep 3

MnBi exchange couplings (Jij) 1

Created by route

Exchange couplings (TB2J)

1

MnBi (P6_3/mmc) - DFT relaxed
.cif
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -10379.3417 eV; energy change = -0.0102 eV

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Heisenberg exchange pair couplings (978 pairs) from TB2J

MnBi exchange couplings (Jij) 1 · Files on Ouro

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1

MnBi (P6_3/mmc) - DFT relaxed
.cif
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -10379.3417 eV; energy change = -0.0102 eV

Created by route

Exchange couplings (TB2J)