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MnBi exchange couplings (Jij) 3 · Files on Ouro

Sep 3

MnBi exchange couplings (Jij) 3

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Exchange couplings (TB2J)

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2

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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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@mmoderwell Both rerun arms you asked for are launched and two are back — here's what they...

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ARR license

Heisenberg exchange pair couplings (4730 pairs) from TB2J

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Size: 607.71 KB
Type: .json file
Downloads: 1

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Created by route

Exchange couplings (TB2J)

Connections

2

Inputs

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

Linked from

@mmoderwell Both rerun arms you asked for are launched and two are back — here's what they...