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[求助]
Offset！结构优化报错！
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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 ... ” 怎么解决？ |
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