Fix: bug when nspin = 2, fixed smearing#3080
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Qianruipku merged 12 commits intodeepmodeling:developfrom Oct 24, 2023
Merged
Fix: bug when nspin = 2, fixed smearing#3080Qianruipku merged 12 commits intodeepmodeling:developfrom
Qianruipku merged 12 commits intodeepmodeling:developfrom
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dyzheng
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Please fix the UT: elecstate_occupy
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This PR fixed the fixed smearing bug of TWO_EFERMI case which can be triggered by parameter "nupdown". This case is rarely used because NSPIN=2 usually set with metal or semiconductor structures.
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fix issue #3073
Reference QE code: