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bonedriven

新虫 (初入文坛)

[求助] Castep has detected a problem with your maths libraries (LAPACK)

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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zhenglijun-8

无虫 (初入文坛)

请问楼主的问题解决了么?我也遇到了同样的问题,急需 解决.
2楼2015-05-18 10:07:00
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yunfan951

铁杆木虫 (著名写手)

不知上面二位同行的问题解决没?我也遇到同样的问题
3楼2017-11-02 08:40:52
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RicKillMercy

木虫 (正式写手)

所以 这个问题   大神都遇不到么
4楼2018-01-24 20:23:13
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CUG_HL

铜虫 (初入文坛)

尴尬了,时隔5年,同样的问题

发自小木虫Android客户端
5楼2020-10-08 10:25:06
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