Feature: add new init_chg method with wavefunctions #5082
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Qianruipku
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mohanchen
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Sep 13, 2024
mohanchen
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Features Needed
mohanchen
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Sep 14, 2024
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Linked Issue
Fix #5077 :
ABACUS can init charge density from wavefunc*.dat and istate.info.
The occupations can be changed by modifying istate.info.
Other:
Fix bug of read_wfc_pw when kpar > 1
Add more precision for istate.info.