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[求助]
DMOL3计算结果求助
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Message: License checkout of MS_dmol successful Message: Using user-supplied basis set file: basfile_v4.4 Warning: dspp takes precedence over using symmetrized basis Warning: Existing Hessian file deleted. Warning: no SYM file, no symmetry used in vibrational analysis Warning: at least C1 SYM file should be there for optgeom Message: SCF converged Warning: Magnitude of eigenvalue 1 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 2 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 3 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 4 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 5 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 6 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 7 too small. Replaced by 0.000100 Message: SCF converged Warning: Magnitude of eigenvalue 1 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 2 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 3 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 4 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 5 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 6 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 7 too small. Replaced by 0.000100 Message: SCF converged Warning: Magnitude of eigenvalue 1 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 2 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 3 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 4 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 5 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 6 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 7 too small. Replaced by 0.000100 Message: SCF converged Warning: Magnitude of eigenvalue 1 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 2 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 3 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 4 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 5 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 6 too small. Replaced by 0.000100 Warning: Magnitude of eigenvalue 7 too small. Replaced by 0.000100 用dmol3计算每次都会提示这个 是什么参数设置有问题，求助，谢谢！ |
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