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Mn16Ge3Bi13 exchange couplings (Jij) · Files on Ouro

Aug 27

Mn16Ge3Bi13 exchange couplings (Jij)

Overview

Attribution

Heisenberg exchange pair couplings (6896 pairs) from TB2J

Stats

Size: 901 KB
Type: .json file
Downloads: 1

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2

Inputs

Mn16Ge3Bi13 (Amm2) - DFT relaxed
.cif
Cell + ionic relaxation with ABACUS DFT; 0.04 eV/Å threshold; final energy = -83643.3639 eV; energy change = -1.8042 eV; not fully force/stress converged

Linked from

Topology audit of both TB2J Jij files — the check that was flagged when the Mn5Ge3 corrupt...

Created by route

Exchange couplings (TB2J)