Fix: Abnormal energies in z direction mag for an isotropic magnetic system#3177
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hongriTianqi
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dyzheng
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Nov 9, 2023
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This PR truns to the original setting: noncolin=1 refer to DOMAG=1 that all magnetization direction will be calculated; noncolin=0 and lspinorb =1 refer to DOMAG_Z=1 that only magnetization along with z-axis will be calculated.
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Linked Issue
Fix #3170
What's changed?
GlobalV::DOMAG_Zwill always befalsein NC and NSPIN=4 caseGlobalV::DOMAGwill always betruein NC and NSPIN=4 case