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newyiding

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[求助] Offset!结构优化报错!

QE:提交了一个“晶胞结构优化”:报错:“


     Subspace diagonalization in iterative solution of the eigenvalue problem:
     a serial algorithm will be used


%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine offset_atom_wfc (3):
     wrong offset
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...


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