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Bugfix: Fermi level being an array caused problems
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@seamm seamm released this 09 Nov 16:29
· 23 commits to main since this release
2023.11.8
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The Fermi level in DFTB+ is a vector with 1 or 2 elements, depending whether the calculation is spin-polarized. DFTB+ can handle different Fermi levels, but it is not clear how useful this is, so for the time being not allowing such calculations and treating the Fermi level as a scalar.

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