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newyiding新蟲 (初入文壇)
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[求助]
Offset!結(jié)構(gòu)優(yōu)化報錯!
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QE:提交了一個“晶胞結(jié)構(gòu)優(yōu)化”:報錯:“ 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 ... ” 怎么解決? |
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