Where should Bfield be set not zero?
Issue #5
resolved
Right now Bfield is being set before the U=Up=J=0 calculation in the main program, so that calculation and the reference occupancies dcount0 will based on Bfield. Is this really what we want? Should we not be setting dcount0 to be the occupancies from DFT prior to adding our manual Bfield?
Comments (3)
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reporter - changed status to resolved
Minjung figured this out :-)
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reporter - marked as task
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Hmmm, but if B is 0 shouldn't the occupancies already be those from DFT?