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error of negf Date: 2015/03/13 19:09 Name: Weiqi Lee   <tccliweiqi@hit.edu.cn> Dear Prof: For the same structure, a simple band calculation can perform normally. However, a calcultion for obtaining negf-chain.hks file can not perform. error message is as following: TRAN_Check_Region_Lead() The length between atomA=157 and atomB=1 is too short for the transport calculation. distance=9.176341 rcutA=5.000000 rcutB=5.000000 ERROR: PAOs of lead atoms can overlap only to the next nearest region. Why is there such a mistake？ How to solve it? Thank you very much!

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