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Hubbard U is requested for the states which do not have LCAO projectors. Please check HUBBARD_U block in the cell file. ÇëÎÊÕâ¿ÉÄÜÊÇÄijöÁËÎÊÌ⣬Ӧ¸ÃÔõô´¦Àí°¡£¬ÓõÄÊÇcastep |
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