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小阳0725银虫 (小有名气)
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SYMMG01_ALERT_1_A _symmetry_space_group_number does not match
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Alert level A SYMMG01_ALERT_1_A _symmetry_space_group_number does not match H-M symbol From the CIF: _space_group_IT_number ÿÿÿÿ From the CIF: _symmetry_space_group_name_H-M Cc Int. Tables space group number for Cc is 9 SYMMG02_ALERT_1_A The _symmetry_equiv_pos_as_xyz values are inconsistent with the H-M symbol given From the CIF: _symmetry_equiv_pos_as_xyz x, y, z x+1/2, y+1/2, z -x, -y, -z -x+1/2, -y+1/2, -z These symops generate the Hall space group symbol -c_1 From the CIF: _symmetry_space_group_name_H-M cc From the xyz: _symmetry_space_group_name_H-M c_-1 PLAT211_ALERT_2_A ADP of Atom C42 is N.P.D. or (nearly) 2D ... Please Check 怎么解决啊，各位大神 |
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