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CASTEP计算弹性常数报错
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CASTEP计算弹性常数时，出现这个问题，请问有没有大佬知道解决方法的 Warning, Castep has detected a problem with your maths libraries (LAPACK). Attempting to work around the problem... (Information for developers: zheevr diagonalisation error 0.617E-03; zheev error -0.110E-14; Hermitian error: 0.118E-14) 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 0.617E-03; zheev error -0.110E-14; Hermitian error: 0.118E-14) Work-around was successful, continuing with calculation.  发自小木虫Android客户端 |
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