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[求助]
Castep has detected a problem with your maths libraries (LAPACK)
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为了说明安装没问题，之前算过不少东西都正常，这是一个新做的结构。 Warning, Castep has detected a problem with your maths libraries (LAPACK). Attempting to work around the problem... (Information for developers: zheevr diagonalisation error 0.643E-04; zheev error -0.254E-03; Hermitian error: 0.552E-03) Work-around was successful, continuing with calculation. Warning, Castep has detected a problem with your maths libraries (LAPACK). Attempting to work around the problem... (Information for developers: zheevr diagonalisation error 0.218E-04; zheev error -0.338E-02; Hermitian error: 0.394E-03) Work-around was successful, continuing with calculation. Error, norm_sq is negative in wave_Snormalise_slice_b 最后变成了Error, norm_sq is negative in wave_Snormalise_slice_b 这个能是什么问题呢？ |
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