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Defects and DDI #556

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MSallermann opened this issue Feb 3, 2020 · 0 comments
Open

Defects and DDI #556

MSallermann opened this issue Feb 3, 2020 · 0 comments
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@MSallermann
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If additional defects are specified via the n_defects option, the magnetic moment gets always set to 0.
If the defect is, however, not a vacancy this is wrong and should be changed.

Further, if a vacancy is set by reading in an image file with a (0,0,0) vector the magnetic moment is not correctly set to 0.
@MSallermann MSallermann changed the title Non-vacancy Defects and DDI Defects and DDI Feb 3, 2020
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@MSallermann